1. A. Chen, X. He, R. Wang, B. Shan, K. Wang*, K. Jiang, “Low-cost molten salt coating enabling robust Li/garnet interface for dendrite-free all-solid-state lithium batteriesChem. Eng. J. 450(2022), 138236
  2. Z. Liu, J.  Yang, Y. Wen, Y.  Lan, L. Guo, X. Chen, K. Cao, R. Chen*, B. shan*, “Promotional Effect of H-2 Pretreatment on the CO PROX Performance of Pt-1/Co3O4: A First-Principles-Based Microkinetic Analysis”, ACS Appl. Mater. Interfaces 14(2022), 27762
  3. Q. Wang#, J. Yang#, Z. Liu, Y. Wen, R. Chen, B. Shan*“A first-principles based microkinetic study of ZnMn1.5TM0.5O4 (TM=3d transition metal) for NO oxidationAppl. Surf. Sci. 600(2022),154069
  4. Y. Li, Y. Lan, K. Cao*, J. Zhang, Y. Wen, B. Shan, R. Chen*Surface Acidity-Induced Inherently Selective Atomic Layer Deposition of Tantalum Oxide on DielectricsMater. 2022, DOI: 10.1021/acs.chemmater.2c00851
  5. J. Yang, X. Chen, Z. Liu, Q. Wang, Y. Wen, A. Zhang, R. Chen*, B. Shan* “Theoretical design principles of metal catalysts for selective ammonia oxidation from high throughput computation Mater. Chem A. 10(2022),  12447
  6. X. Han#, Z. Liu#, M. Cao, H. Ren, C. Du, F. Yang*,B. Shan, R. Chen* “Atomic layer infiltration enabled Cu coordination environment construction for enhanced electrochemical CO2 reduction selectivity: Case Study of a Cu Metal−Organic FrameworkMater. 34(2022), 6713
  7. K. Cao, X. Liu, F. Yang, R. Chen* “Atomic Layer Deposition for Advanced Nanomanufacturing Science China Technological Sciences 2022, doi/10.1007/s11431-022-2052-y. (invited perspective)
  8. Z. Li, J. Xiang, X. Liu, X. Li, L. Li, B. Shan, R. Chen*“A combined multiscale modeling and experimental study on surface modification of high-volume micro-nanoparticles with atomic accuracy J. Extreme Manufacturing 4(2022), 025101
  9. Z. Chen, K. Cao, R. Wu, L. Zhang, X. Zhang*, R. Chen* “Empirical Model and PSO-based Algorithm for Efficient Measurement of Gas Permeation through High BarrierIEEE Trans. Meas. 71(2022), 7501308
  10. P. Wang, L. Qin, B. Zhou, M. Liu, S. Geng, M. Wang, Z. Lei, Y. Wen*, R. Chen*“Boosted Efficiency and Lifetime of Perovskite Quantum Dots Light-emitting Diode via NiOx/PEDOT:PSS Dual Hole Injection Layers Phys. Letts. 120(2022), 033502
  11. Q. Lu, Z. Wang, Y. Tang, C. Huang, A. Zhang, F. Liu, X. Liu*, B. Shan, R. Chen* “Well-controlled Pt-CeO2-nitrogen doped carbon triple-junctions catalysts with enhanced activity and durability for the oxygen reduction reaction” Sustainable Energy Fuels, 6(2022), 2989
  12. J. Li, J. Xiang, G. Yi, Y. Tang, H. Shao, X. Liu*, B. Shan and R. Chen* “Reduction of Surface Residual Lithium Compounds for single-crystal LiNi6Mn0.2Co0.2O2via Al2O3 atomic layer deposition and post-annealingCoatings 12(2022), 84
  13. J. Xiang, J. Zhang, J. Li, H. Shao, L. Wang, X. Liu*, B. Shan, R. Chen* “Alumina Nanocoating Assisted Dispersion Stability of Permanent Violet Pigments via Atomic Layer Deposition Chem. Phys. 82(2022), 125937
  14. J. Zhang, Y. Li, K. Cao, R. Chen*“Advances in atomic layer depositionNanomanufacturing and Metrology 2022 (invited review) DOI: 10.1007/s41871-022-00136-8.
  15. B. Hu,W. Zou, W. Wu, J. Tang, R. Chen, H. Zhou, C. Du*, B. Shan* “Enhanced mechanical and sintering properties of MgO-TiO2 ceramic composite via digital light processing Eur Ceram. Soc. 42(2022), 1694
  16. F. Wu, X. Duan*, P. Qian, H. Min, Y. Wen, R. Chen, Y. Zhao, and B. Shan*, “Lattice inversion potential with neural network corrections for metallic systems Mater. Sci. 207(2022), 111311
  17. Y. Tang, Y. Chen, X. Liu*, C. Wang, Y. Zhao, R. Chen, B. Shan* “Facet-dependent activity of shape-controlled TiO2 supported Au nanoparticles for the water-gas shift reaction Sci. Technol. 12(2022), 1530
  18. Y. Zhang, D. Wen, M. Liu, Y. Li, Y. Lin, K. Cao, F. Yang*, R. Chen*“Stretchable PDMS encapsulation via SiO2 doping and atomic layer infiltration for flexible displaysAdv. Mater. Interfaces 9(2022), 2101857
  19. L. Lian, S. Wang, H. Ding, G. Liang, Y. Zhao, H. Song, X. Lan, J. Gao, R. Chen, D. Zhang, J. Zhang*“Single-Component White-Light Emitters with Excellent Color Rendering Indexes and High Photoluminescence Quantum Efficiencies Opt. Mater. 10(2022), 2101640


  1. L. Lian , P. Zhang , G. Liang , S. Wang , X. Wang , Y. Wang , X. Zhang , J. Gao , D. Zhang , L. Gao , H. Song , R.Chen , X. Lan , W. Liang , G. Niu, J. Tang , J. Zhang* ,“Efficient Dual-Band White-Light Emission with High Color Rendering from Zero-Dimensional Organic Copper Iodide.ACS Appl Mater Interfaces., 13 (2021) 22749-22756
  2. Y. Li, Y. Xiong, W. Cao, Q. Zhu, Y. Lin, Y. Zhang, M. Liu, F. Yang, K. Cao*, R. Chen*, “Flexible PDMS/Al2O3 Nanolaminates for the Encapsulation of Blue OLEDs. ”Adv. Mater. Interfaces., 8 (2021) 2100872
  3. Z. Li, K. Cao*,X. Li, R.Chen*,“Computational fluid dynamics study on spatial atomic layer deposition for the conformality of microgroove substrates” Inter. J. Heat Mass,181 (2021) 121854
  4. J. Wanyan, K. Cao, Z. Chen, Y. Li, C. Liu, R. Wua, X. Zhang*, R. Chen*Predictive tool for sensitive and expedited measurement of ultra-barrier permeationEngineering 2021 DOI:10.1016/j.eng.2021.02.017
  5. L. Peng, D. Tang, J. wang*, R. Chen, F. Gao, L. Zhou, “Robust incident angle calibration of angle-resolved ellipsometry for thin film measurementAppl. Optics, 60 (2021)3971-3976
  6. J. Wang, R. Leach, R. Chen, J. Xu*, X. Jiang “Distortion-free intelligent sampling of sparse surfaces via locally refined T-spline metamodelingInt. J. of Precis. Eng. and Manuf.-Green Tech., 8 (2021) 1471-1486
  7. S. Geng, Y. Wen, B. Zhou, Z. Wang, Z. Wang, P. Wang,Y. Jing, K. Cao, K. Wang*, R. Chen* “High Luminance and Stabilization of Perovskite Quantum Dots Light-Emitting Diode via Atomic Layer Deposition for Carrier Balance and Ion Diffusive InhibitionACS Appl. Electronic. Mater., 3 (2021) 2362-2371
  8. B. Zhou, P.i Wang, S. Geng,  M. Wang, L. Qin, Y. Wen*, R. Chen* “Highly Efficient CsPbBr3 Perovskite Nanocrystals Light Emitting Diode with Enhanced Stability via Colloidal Layer-by-layer DepositionACS Appl. Electronic. Mater., 3 (2021) 2398-2406
  9. Z. Chen, B. Zhou, J. Yuan, N. Tang, L. Lian, L. Qin, L. Zhu, J. Zhang, R. Chen*, J. Zang* “Cu2+-doped α-CsPbI3 Nanocrystals with Enhanced Stability for Light-emitting DiodesJ. Phys. Chem. Letts., 12 (2021) 3038-3045
  10. Z. Chen, L. Dong, C. Zhou, B. Zhou, Z. Zheng, R. Chen, J. Zang* “Synthesis of highly luminescent Mn-doped CsPbCl3 nanoplatelets for light-emitting diodesCrystEngComm., 23 (2021) 793-803
  11. J. Cai, M. Merkx, Y. Lan, Y. Jing, K. Cao, W. Kessels, A. Mackus*, R. Chen* “The dependence of inherent selective atomic layer deposition of FeOx on Pt nanoparticles on the co-reactant and temperatureJ. Vac. Sci. Technol. A 2021, 39, 012404.
  12. Z. Li, J. Li, X. Liu, R. Chen* “Progress in Enhanced Fluidization process for Particle Coating via Atomic Layer DepositionChem. Eng. Process.- Process Intensification 2021, 159, 108234.
  13. J. Cao, Y.T Tang, C.J Huang, Z.L. Wang, F. Liu, B. Shan, R. Chen*, “Vaporized-salt-induced sp3-hybridized Defects on Nitrogen-doped Carbon Surface towards Oxygen Reduction Reaction”, Carbon, 180 (2021) 1-9
  14. D. Du, Y. Lang, K. Cao, J.Q. Yang, J.M. Cai, B. Shan*, R. Chen*, “Bifunctionally faceted Pt/Ru nanoparticles for preferential oxidation of CO in H2”, J. Catal., 396 (2021) 148-156
  15. Z.J. Wang, S.Q. Wang, Z. Liu, B.Z. Zhou, Y.W. Wen*, Z.Z. Lu*, R. Chen, B. Shan, Bonding behavior and passivation mechanism of organic ligands (-SH,-NH2,-COOH) on ZnS(1010) surface from first-principles calculations”, Appl. Surf. Sci., 545 (2021) 148970.
  16. H. Yao, J.Q. Yang, Z. Liu, B. Shan, R. Chen, Y.W. Wen*, Y.L. Li*, “Synergetic effect dependence on activated oxygen in the interface of NiOx modified Pt nanoparticles for CO oxidation from first-principles”, Phys. Chem. Chem. Phys., 23 (2021) 8541-8548
  17. L. Wang, J.H. Yang, Y.T. Tang, Z.P. Chen, Q.Z. Lu, G.R. Shen, Y.W. Wen, X. Liu*, F. Liu, R. Chen, B. Shan*, “Fe3O4/Co3O4 binary oxides as bifunctional electrocatalyst for rechargeable Zn-air battery by one-pot pyrolysis of zeolitic imidazolate frameworks”, Sustain. Energ. Fuels, 5 (2021) 2985-2993
  18. C Li, K. Cao*, Y.X. Lan, J.M. Zhang, M. Gong, Y.W. Wen, B. Shan, and R. Chen*, “Inherently Area-Selective Atomic Layer Deposition of Manganese Oxide on Metal−Dielectric Patterns through Electronegativity-induced Adsorption”, Molecules, 26 (2021) 3056
  19. Min, F.F. Wu, J.Q. Yang, X.B. Duan, Y.W. Wen, F. Xie*, and B. Shan*, “Development of an interatomic potential for Fe-He by neural network”, Comput. Mater. Sci., 196 (2021) 110549
  20. Y.J. Cao, H.Y. Peng, S.Q. Chu, Y.T. Tang, C.J. Huang, Z.L. Wang, F. Liu, J.S. Wu, Bin Shan*, Rong Chen*,“Molten-salt-assisted Thermal Emitting Method to Transform Bulk Fe2O3 into Fe Single Atom Catalysts for Oxygen Reduction Reaction in Zn-air battery”, Chem. Eng. J., 420 (2021) 129713
  21. Chen, Y.; Chen, X.; Ma, X.; Tang, Y.; Zhao, Y.; Zhang, A.; Wang, C. ; Du, C.*; Shan, B.*, “Selective catalytic oxidation of ammonia over AMn2O5 (A= Sm, Y, Gd) and reaction selectivity promotion through Nb decoration”. J. Catal402 (2021), 10-21
  22. Zou, X.; Han, X.; Wang, C.; Zhao, Y.; Du, C.*; Shan, B.*, “Carrier engineering of Zr-doped Ta3N5film as an efficient photoanode for solar water splitting”. Sustain. Energ. Fuels. 5 (2021), 2877–2883
  23. Hu, B.; Xing, Z.; Wu, W.; Zhang, X.; Zhou, H.; Du, C.*; Shan, B.*, “Enhancing the mechanical properties of SCF/PEEK composites in FDM via process-parameter optimization”. High. Perform. Polym. 2021, 09540083211003654.
  24. Cao Y, Peng H, Chu S, Tang Y, Huang C, Wang Zh, Liu F, Wu J ,Shan B, Chen R. “Molten-salt-assisted thermal emitting method to transform bulk Fe2O3 into Fe single atom catalysts for oxygen reduction reaction in Zn-air battery”. Chemical Engineering  Journal,2021,420.


  1. Y. Jing, M.J.M. Merkx, J.M. Cai, K. Cao, W.M.M. Kessels, A.J.M. Mackus* and R. Chen*, “Nanoscale Encapsulation of Perovskite Nanocrystals Luminescent Films via Plasma-enhanced SiO2 Atomic Layer Deposition”, ACS Appl. Mater. Interfaces, 12 (2020) 53519-53527
  2. Y. Jing, K. Cao,* B.Z. Zhou, S.C. Geng, Y.W. Wen, B. Shan and R. Chen*, “Two-Step Hybrid Passivation Strategy for Ultra-Stable Photoluminescence Perovskite Nanocrystals”, Chem. Mater., 32 (2020) 10653-10662
  3. F.F. Wu, H. Min, Y.W. Wen, R. Chen, Y.K. Zhao, M. Ford, B. Shan*, “Modeling of metal nanoparticles: Development of neural-network interatomic potential inspired by features of the modified embedded-atom method”, Phys. Rev. B, 102 (2020) 144107
  4. X. Liu, S.F. Jia, M. Yang, Y.T. Tang, Y.W. Wen, S.Q. Chu, J.B. Wang, B. Shan*, R. Chen*, “Activation of subnanometric Pt on Cu-modified CeO2 via redox-coupled atomic layer deposition for CO oxidation”, Nature Comm., 11 (2020) 4240
  5. M.H. Li, X.J. Tian, X. Zou, X.Y. Han, C. Du*, B. Shan, “Promoting photoelectrochemical hydrogen evolution activity of CuBi2O4 photocathode through ramping rate control”, Int. J. Hydrogen Energ, 45 (2020) 15121
  6. Y. Lang, C. Du, Y.T. Tang, Y.J. Chen, Y.K. Zhao, R. Chen, X. Liu, B. Shan*, “Highly efficient copper-manganese oxide catalysts with abundant surface vacancies for low-temperature water-gas shift reaction”, Int. J. Hydrogen Energ, 45 (2020) 8629-8639
  7. X.B. Duan, Z.P. Zhang, H.Z. He, B. Shan*, “Development of Interatomic Potentials for FCC Metals Based on Lattice Inversion Method”, Materials Science Forum, 993 (2020) 1057
  8. R. Chen*, Y.C. Li, J.M. Cai, K. Cao, H.B.R. Lee, “Atomic Level Deposition to Extend Moore’s Law and Beyond”, Inter. J. Extreme Manufacturing, 2 (2020) 022002 (invited topic review)
  9. K. Cao, J.M. Cai, R. Chen*, “Inherent selective atomic layer deposition and applications”, Chem. Mater., 32 (2020) 2195 (invited perspective)
  10. K. Cao, J.M. Cai, B. Shan, R. Chen*, “Surface functionalization on nanoparticles via atomic layer deposition”, Sci. Bulletin, 65 (2020) 678 (invited review)
  11. Y. Li, Y.F. Xiong, H.Z. Yang, K. Cao, R. Chen*, “Thin film encapsulation for the organic light-emitting diodes via atomic layer deposition”, J. Mater. Res., 35 (2020) 681 (invited review, cover)
  12. B.Z. Zhou, M.J. Liu, Y.W. Wen, Y. Li, R. Chen*, “Atomic Layer Deposition for Quantum Dots based Devices”, Opto-Electron. Adv., 3 (2020) 190043 (invited review, cover)
  13. B.Z. Zhou, Z.J. Wang, S.C. Geng, Y. Li, K. Wang, K. Cao, Y.W. Wen*, R. Chen*, “Interface Engineering of CsPbBr3 Nanocrystal Light-Emitting Diodes via Atomic Layer Deposition”, Phys. Status Solidi RRL, 14 (2020) 2000083
  14. J. Wang, Y. Lu, L. Ye*, R. Chen, R. Leach “Efficient analysis-suitable T-spline fitting for freeform surface reconstruction and intelligent samplingPrecis. Eng.-J. Int. Soc. Precis. Eng. Nanotechnol., 66 (2020) 417-428
  15. C.C. Jiang, K. Cao*, B.Z. Zhou, Y.W. Wen, B. Shan, and R. Chen*, “Atomic scale composite oxides infiltration to quantum dot photodetector with ultralow dark current”, ACS Appl. Electronic. Mater., 2 (2020) 155-162
  16. F. Fang, M.J. Liu, W. Chen, H.C. Yang, Y.Z. Liu, X. Li, J.J. Hao, B. Xu, D. Wu, K. Cao, W. Lei, P. Müller-Buschbaum, X.W. Sun, R. Chen*, K. Wang*, “Atomic Layer Deposition Assisted Encapsulation of Quantum Dot Luminescent Microspheres toward Display Applications”, Adv. Opt. Mater., 8 (2020) 1902118
  17. Y. Li, K. Cao, H.Z. Yang, Y.F. Xiong, B.Z. Zhou, J. Huang, R. Chen*, “Composite encapsulation films with ultrahigh barrier performance for improving the reliability of blue organic light-emitting diodes”, Adv. Mater. Interfaces, 7 (2020) 2000237
  18. X.J. Fang, B. Liu, K. Cao, P.J. Yang, Q. Zhao, F. Jiang, Y.B. Xu, R. Chen, X.H. Liu*, “Particle-size-dependent methane selectivity evolution in cobalt-based Fischer-Tropsch synthesis”, ACS Catal, 10 (2020) 2799-2816
  19. J.M. Cai, Z. Liu, K. Cao*, Y. Lang, S.Q. Chu, B. Shan, R. Chen*, “Highly dispersed Pt studded on CoOx nanoclusters for CO preferential oxidation in H2”, J Mater. Chem. A, 8 (2020) 10180
  20. J.F. Yang, K. Cao*, M. Gong, B. Shan, R. Chen*, “Atomically decorating of MnOx on palladium nanoparticles towards selective oxidation of benzyl alcohol with high yield”, J. Catal, 386 (2020) 60-69
  21. M. Zhao, K. Cao, M.J. Liu, J. Zhang, R. Chen*, Z.G. Xia*, “Dual-shelled RbLi(Li3SiO4)2:Eu2+@Al2O3@ODTMS phosphor as a stable green emitter for high-power LED Backlights”, Angew. Chem. Int. Ed., 59 (2020) 12938-12943
  22. W.T. Cong, Z.S. Li, K. Cao, G. Feng, R. Chen*, “Transient analysis and process optimization of the spatial atomic layer deposition using the dynamic mesh method”, Chem. Eng. Sci., 217 (2020) 115513
  23. J.Q. Yang, K. Cao, Q. Hu, Y.W. Wen, X. Liu, R. Chen*, B. Shan*, “Unravelling Selective Growth Mechanism of AlOx with Dimethylaluminum Isopropoxide as Precursor in Atomic Layer Deposition: A Combined Theoretical and Experimental Study”, J Mater. Chem. A, 8 (2020) 4308-4317
  24. L.Y. Lian, M.Y. Zheng, W.Z. Zhang, L.X. Yin, X.Y. Du, P. Zhang, X.W. Zhang, J.B. Gao, D.L. Zhang, L. Gao, G.D. Niu, H.S. Song, R. Chen, X.Z. Lan, J. Tang, J.B. Zhang*, “Efficient and Reabsorption-Free Radioluminescence in Cs3Cu2I5 Nanocrystals with Self-Trapped Excitons”, Adv. Sci., 7 (2020) 2000195
  25. Y.J. Chen, G.R. Shen, Y. Lang, R. Chen, L.W. Jia, J. Yue, M.Q. Shen, C. Du*, B. Shan*, “Promoting soot combustion efficiency by strengthening the adsorption of NOx on the 3DOM mullite catalyst”, J. Catal, 384 (2020) 96-105
  26. L. Shi, J.Q. Yang, G.R. Shen, Y.K. Zhao, R. Chen, M.Q. Shen, Y.W. Wen*, B. Shan*, “The influence of adjacent Al atoms to the hydrothermal stability in H-SSZ-13: a first principles study”, Phys. Chem. Chem. Phys., 22 (2020) 2930-2937


  1. C.C. Jiang, K. Cao*, B.Z. Zhou, Y.W. Wen, B. Shan, and R. Chen*, “Atomic scale composite oxides infiltration to quantum dot photodetector with ultralow dark current”, ACS Applied Electronic Materials, 2 (2019) 155-162
  2. S. P. Li, Z.L. Han, W. Hu, L.F. Peng, J.Q. Yang, L.H. Wang, Y.Y Zhang, B. Shan, and J. Xie*, “Manipulating kinetics of sulfurized polyacrylonitrile with tellurium as eutectic accelerator to prevent polysulfide dissolution in lithium-sulfur battery under dissolution”, Nano Energy, 60 (2019) 153-161
  3. A. Liu, X. Liu, Y. Pu, K. Guo, W. Tan, S. Gao, Y. Luo, S. Yu, R. Si, B. Shan, F. Gao*, L. Dong*, “Getting Insights into the Temperature-Specific Active Sites on Platinum Nanoparticles for CO Oxidation: A Combined in Situ Spectroscopic and ab Initio Density Functional Theory Study”, ACS Catalysis, 9 (2019) 7759-7768
  4. B. Hu, X. Duan, Z. Xing, Z. Xu, C. Du, H. Zhou, R. Chen, and B. Shan*, “Imrpoved design of fused deposition modeling equipment for 3D printing of high-performance PEEK parts”, Mechanics of Materials, 137 (2019) 103139
  5. Q. Hu, K. Cao*, Y. Lang, R. Chen, S.Q. Chu, L.W. Jia, J. Yue, and B. Shan*, “Improved NO-CO Reactivity of Highly Dispersed Pt Particles on CeO2 Nanorods Catalyst Prepared by Atomic Layer Deposition”, Catalysis Science & Technology, 9(2019),2664-2672
  6. X. Liu, J.Q. Yang, G.R. Shen, M.Q. Shen, Y.K. Zhao, K. Cho, B. Shan*, and R. Chen*, “Tuning the structure of bifunctional Pt/SmMn 2 O 5 interfaces for promoted low-temperature CO oxidation activity”, Nanoscale, 11(2019), 8050-8159 (Cover article)
  7. K. Cao, M. Gong, J.F. Yang, J.M. Cai, S.Q. Chu, Z.P. Chen, B. Shan*, and R. Chen*, “Nickel catalyst with atomically-thin meshed cobalt coating for improved durability in dry reforming of methane”, Journal of Catalysis, 373 (2019) 351-360
  8. L. Shi, J. Zhang, G.R. Shen, D.Q. Fan, Y.W. Wen, Y.K. Zhao, R. Chen, M.Q. Shen, and B. Shan*, “Water mediated oxygen activation in NH3 SCR reaction over a Cu-SAPO-34 catalyst: a first principles study”, Catalysis Science & Technology, 9 (2019) 1309-1316
  9. J. Q. Yang, L. Shi, X. Liu, Y.W. Wen, K. Cho, Y.K. Zhao, R. Chen*, and B. Shan*, “Unravelling origins of Pd ensembles’ activity in CO oxidation via state-to-state microkinetic analysis”, Journal of Catalysis, 371 (2019) 276-286
  10. X. Chen, L.F. Peng, L.H. Wang, J.Q. Yang, Z.X. Hao, J.W. Xiang, K. Yuan, Y.H. Huang, B. Shan, L.X. Yuan, and J. Xie, “Ether-compatible sulfurized polyacrylonitrile cathode with excellent performance enabled by fast kinetics via selenium doping”, Nature Communications, 10 (2019) 1021
  11. Y.W. Wen, J.M. Cai, J. Zhang, J.Q. Yang, L. Shi, K. Cao, R. Chen*, and B. Shan*, “Edge selective growth of MCp2 (M= Fe, Co, Ni) precursors on Pt nanoparticles in atomic layer deposition: a combined theoretical and experimental study”, Chemistry of Materials, 31 (2019) 101-111 (Cover article)
  12. Z. R. Zhang, Y.L. Sun, X.B. Duan, L.F. Peng, H.H. Jia, Y.Y. Zhang, B. Shan, and J. Xie, “Design and Synthesis of Room Temperature Stable Li-Argyrodite Superionic Conductors via Cation Doping”, Journal of Materials Chemistry, 7 (2019) 2717-2722
  13. Y. Zhang, Y. Sun, L. Peng, J. Yang, H. Jia, Z. Zhang, B. Shan, and J. Xie, “Se as Eutectic Accelerator in Sulfurized Polyacrylonitrile for High Performance All-Solid-State Lithium-Sulfur Battery”, Energy Storage Materials, 21 (2019) 287-296
  14. L. H. Wang, X. Chen, S.P. Li, J.Q. Yang, Y.L. Sun, L.F. Peng, B. Shan, J. Xie,“Effect of eutectic accelerator in selenium-doped sulfurized polyacrylonitrile for high performance room temperature sodium-sulfur batteries”, Journal of Materials Chemistry A, 7 (2019) 12732-12739
  15. X. B. Duan, B.L. He, Z.T. Liu, J.Q. Yang, X. Liu, Y.W. Wen, and B. Shan*, “Development of a pair potential for Ta-He system”, Computational Materials Science, 156 (2019) 268-272


  1. X. Liu, Y.T. Tang, M.Q. Shen, W. Li, S.Q. Chu, B. Shan*, and R. Chen*, "Bifunctional CO oxidation over Mn-mullite anchored Pt sub-nanoclusters via atomic layer deposition" ,Chemical Science, 9 (2018) 2469-2473
  2. Y.N. Zhu, C. Du, Z.J. Feng, Y.J. Chen, H. Li, R. Chen, M.Q. Shen, and B. Shan*, "Highly dispersed Pd on macroporous SmMn2O5 mullite for low temperature oxidation of CO and C3H8", RSC Advances, 8 (2018) 5459-5467
  3. J.Q. Yang, J. Zhang, X. Liu, X.B. Duan, Y.W. Wen, R. Chen, and B. Shan*, "Origin of the superior activity of surface doped SmMn2O5 mullites for NO oxidation: A first-principles based microkinetics study",  Journal of Catalysis, 359 (2018) 122-129
  4. J.M. Cai, J. Zhang, K. Cao*, M. Gong, Y. Lang, X. Liu, S.Q. Chu, B. Shan, and R. Chen*, "Selective Passivation of Pt Nanoparticles with Enhanced Sintering Resistance and Activity toward CO Oxidation via Atomic Layer Deposition", ACS Applied Nano Materials, 1 (2018) 522-530
  5. K. Cao, J.M. Cai, X. Liu, R. Chen, "Catalysts design and synthesis via selective atomic layer deposition", Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, 36 (2018) 010801
  6. X.B. Duan, B.L. He, M.M. Guo, Z.T. Liu, Y.W. Wen, B. Shan*, "Lattice inversion modified embedded atom method for FCC metals", Computational Materials Science, 150 (2018) 418-423
  7. J. Yang, C. Du, Y.W. Wen, Z.J. Zhang, K. Cho, R. Chen*, and B. Shan*, "Enhanced Photoelectrochemical Hydrogen Evolution at p-type CuBi2O4 Photocathode through Hypoxic Calcination", International Journal of Hydrogen Energy, 43 (2018) 9549-9557
  8. Y.W. Wen, J.M. Cai, J. Zhang, J.Q. Yang, L. Shi, K. Cao, R. Chen*, and B. Shan*,  ”Edge selective growth of MCp2 (M= Fe, Co, Ni) precursors on Pt nanoparticles in atomic layer deposition: a combined theoretical and experimental study”, Chemistry of  Materials, (2018) in press
  9. Q.Y. Xiang, B.Z. Zhou, K.Cao*, Y.W.Wen, Y. Li, Z.J Wang, C.C. Jiang, B. Shan and R. Chen*, “Bottom up stabilization of CsPbBr3 quantum dots-silica sphere with selective surface passivation via atomic layer deposition”, Chemistry of  Materials, 30 (2018) 8486-8494
  10.  X.B. Duan*, B.L. He, Z.T. Liu, J.Q. Yang, X. Liu, Y.W. Wen, and B. Shan*, “Development of a pair potential for Ta-He system”, Computational Materials Science, 156 (2019) 268-272 
  11. C. Du, J.e Yang, J.H. Yang, Y.K. Zhao, R. Chen, B. Shan*, “An iron oxide -copper bismuth oxide photoelectrochemical cell for spontaneous water splitting”, International Journal of Hydrogen Energy,   43(2018)22807-22814
  12. Y.J. Chen, C. Du, Y. Lang, L.W. Jia, R.Chen and B. Shan*, “Carboxyl-modified colloidal crystal templates for the synthesis of three-dimensionally ordered macroporous SmMn2O5 mullite and its application in NOx-assisted soot combustion”,Catalysis Science & Technology, 8 (2018) 5955-5962
  13. R .Chen*, K. Qu, J.W.Li, P.H. Zhu, C.L. Duan, J. Zhang, X.W. Li, X. Liu* and Z.J. Yang, “Ultrathin Zirconia Passivation and Stabilization of Aluminum Nanoparticles for Energetic Nanomaterials via Atomic Layer Deposition”, American Chemical Society,Nano Materials, 1(2018) 5500–5506
  14. Y. Lang, J. Zhang, Z.J. Feng, X. Liu, Y.N. Zhu, T. Zeng, Y.K. Zhao, R.Chen and B. Shan*, “CO oxidation over MOx (M=Mn, Fe, Co, Ni, Cu) supported on SmMn2O5 composite catalysts”,Catalysis Science & Technology, 8(2018)5490-5497
  15. Z.J. Feng, C. Du, Y.J. Chen, Y. Lang, Y.K. Zhao, K.C., R.Chen and B. Shan*, “Improved durability of Co3O4 particles supported on SmMn2O5 for methane combustion”, Catalysis  Science Technology, 8(2018)3785-3794
  16. J. Yang, C. Du, Y.W. Wen, Z.J. Zhang, K. C., R. Chen*, B. Shan*, “Enhanced photoelectrochemical hydrogen evolution at p-type CuBi2O4 photocathode through hypoxic calcination”,International Journal of Hydrogen Energy,43(2018)9549-9557
  17. 刘媛媛, 杜纯, 曹坤, 陈蓉, 徐湘伦, 黄静, 单斌. 沉积功率和退火工艺对PE-ALD氧化铝薄膜的影响,半导体技术, 2018(8)
  18. Y.N. Zhu, C. Du, Z.J. Feng, Y.J. Chen, H. Li, R.Chen, M.Q. Shen, B. Shan*, “Highly dispersed Pd on macroporous SmMn2O5 mullite for low temperature oxidation of CO and C3H8”, Royal Society of Chemistry advances, 8(2018) 5459-5467
  19. K. Cao, J.M. Cai, X. Liu, R. Chen*, “Catalysts design and synthesis via selective atomic layer deposition”, Journal of Vacuum Science & Technology A, 36(2018) 010801
  20. J.W. Xin, Q.H. Jiang, Y.W. Wen, S.H.Li, J. Zhang, A. B., L. Shu, X. Li, J.Y. Yang*, “In-situ Eutectic Remelting and Oxide Replacement Reaction to Superior Thermoelectric Performance of InSb”, Journal of Materials Chemistry A, 6 (2018)17049-17056


  1. J. Wang, C. Du, Q. Peng, J. Yang, Y.W. Wen*, B. Shan, R. Chen*, "Enhanced photoelectrochemical water splitting performance of hematite nanorods by Co and Sn co-doping" ,International Journal of Hydrogen Energy, 42 (2017) 29140-29149
  2. X.L. Wang, Y. Li, J.L. Lin, B. Shan, and R. Chen*, "Modular injector integrated linear apparatus with motion profile optimization for spatial atomic layer deposition" ,Review of Scientific Instruments, 88 (2017) 115108
  3. J.S. Dong, J. Wang, L. Shi, Jiaqiang Yang, Jianqiang Wang, B. Shan, M.Q. Sheng*, "Hydrogenous spinel γ-alumina structure" , Physical Chemistry Chemical Physics, 19 (2017) 27389-27396
  4. Q. Peng, J. Wang, Z.J. Feng, C. Du, Y.W. Wen*, B. Shan, and R. Chen*, "Enhanced Photoelectrochemical Water Oxidation by Fabrication of p‑LaFeO3/n-Fe2O3 Heterojunction on Hematite Nanorods" ,Journal of Physical Chemistry C, 121 (2017) 12991−12998
  5. Q.B. Wang, C.P. Liang, Y.P. Zheng, N. Ashburn, Y.J. Oh, F.T. Kong, C.X. Zhang, Y.F. Nie, J. Sun, K.H. He, Y. Ye, R. Chen, B. Shan, and K. Cho, "First principles study of Mn-doping effect on the physical and chemical properties of mullite-family Al2SiO5" ,Physical Chemistry Chemical Physics, 19 (2017) 24991-25001
  6. X. Liu, Y.W. Wen, Y.T. Tang, Y. Lang, B. Shan*, and R. Chen*, "Effect of exposed facets and oxygen vacancies on the catalytic activity of PdxCe1-xO2-δ catalysts: a combined experimental and theoretical studyCatalysis Science & Technology, 7 (2017) 4462-4469
  7. K. Cao, L. Shi,M. Gong, J.M. Cai, X. Liu, S.Q. Chu, B. Shan*, R. Chen*, "Nanofence Stabilized Platinum Nanoparticles Catalyst via Facet-Selective Atomic Layer DepositionSmall, 13 (2017) 1700648
  8. C. Du, J. Wang, X. Liu, J. Yang, K. Cao, Y.W. Wen, R. Chen*, and B. Shan*, "Ultrathin CoOx-modified hematite with low onset potential for solar water oxidation", Physical Chemistry Chemical Physics, 19 (2017) 14178-14184
  9. Z.Y. Qin, D.W. Zeng*, J. Zhang, C.Y. Wu, Y.W. Wen*, B. Shan, and C.S. Xie*, "Effect of layer number on recovery rate of WS2 nanosheets for ammonia detection at room temperature" ,Applied Surface Science, 414 (2017) 244-250
  10. R. Chen, C.L. Duan, X. Liu, K. Qu, G. Tang, X.X. Xu, B. Shan, "Surface passivation of aluminum hydride particles via atomic layer deposition", Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, 35 (2017) 03E111
  11. Y.W. Wen, F. Xie, X.L. Liu, X. Liu, R. Chen, K. Cho, and B. Shan*, "Tunable H2 binding on alkaline and alkaline earth metals decorated graphene substrates from first-principles calculations" ,International Journal of Hydrogen Energy, 42 (2017) 10064-10071
  12. J. Zhang, X.L. Liu*, Y.W. Wen, L. Shi, R. Chen, H.J. Liu, and B. Shan*, "Titanium Trisulfide Monolayer as a Potential Thermoelectric Materials: A First-Principles-Based Boltzmann Transport Study" ,ACS Applied Materials & Interfaces, 9 (2017) 2509-2515
  13. C. Liao, Y.W. Wen, B. Shan, T.Y. Zhai, and H.Q. Li*, "Probing the capacity loss of Li3VO4 anode upon Li insertion and extraction" ,Journal of Power Sources, 348 (2017) 48-56
  14. X. Liu, Q.Q. Zhu, Y. Lang, K. Cao, S.Q. Chu, B. Shan*, and R. Chen*, "Oxide nanotraps-anchored Pt nanoparticles with high activity and sintering resistance via area-selective atomic layer depositionAngewandte Chemie International Edition, 56 (2017) 1648-1652
  15. Z.J. Feng, Q.H. Liu, Y.G. Chen, P.F. Zhao, K. Cao*, M.Q. Shen, R. Chen, and B. Shan*, "Macroporous SmMn2O5 Mullite for NOx –assisted Soot CombustionCatalysis Science & Technology, 7 (2017) 838-847
  16. C. Gong, W.C. Wang, G. Lee, B. Shan, R.M. Wallace, K. Cho*, "Electronic Transport across Metal-Graphene Edge Contact2D Materials , 4(2) (2017) 025-033
  17. X. Wang, Q. Ni, D. Zeng*, G. Liao, Y.W. Wen*, B. Shan, C.S. Xie, "BiOCl/TiO2 heterojunction network with high energy facet exposed for highly efficient photocatalytic degradation of benzene", Applied Surface Science, 396 (2017) 590-598
  18. C.L. Duan, P.H. Zhu, Z. Deng, Y. Li,B. Shan,H.S. Fang, G. Feng,R. Chen*,"Mechanistic modeling study on atomic layer deposition process optimization in a fluidized bed reactor", Journal of Vacuum Science & Technology A, 35 (2017) 01B102
  19. B. Zhou, W. Luo, J.Q. Yang, X.B. Duan, Y.W. Wen, H.M. Zhou, R. Chen*, B. Shan*,“Simulation of dispersion and alignment of carbon nanotubes in polymer flow using dissipative particle dynamics”,Computational Materials Science,126 (2017) 35-42
  20. C.Y. Liao, Y.W. Wen, Z.G Xia, R.H. Qin, Y. Yu, B. Shan, T.Y. Zhai* and H.Q. Li,* "Si-Doping Mediated Phase Control from β- to γ-Form Li3VO4 toward Smoothing Li Insertion/Extraction", Advanced Energy Materials, 2017, DOI: 10.1002/aenm.201701621
  21. Z.G Wu*, Y.A. Huang, R. Chen, "Opportunities and Challenges in Flexible and Stretchable Electronics: A Panel Discussion at ISFSE2016", Micromachines, 8 (2017) 129
  22. F.Z. Zhao*, M. Gong, K. Cao, Y.H. Zhang, J.L. Li, R. Chen*, "Atomic layer deposition of Ni on Cu nanoparticles for methanol synthesis from CO2 hydrogenation" ,ChemCatChem, 9 (2017) 3772.
  23. E. Ahvenniemi, AR. Akbashev, S. Ali, M. Bechelany, M. Berdova, S. Boyadjiev, DC. Cameron, R. Chen, M. Chubarov, V. Cremers, A. Devi, V. Drozd, L. Elnikova, G. Gottardi, K. Grigoras, DM. Hausmann, C.S. Hwang, S.H. Jen, T. Kallio, J. Kanervo, I. Khmelnitskiy, D.H. Kim, L. Klibanov, Y. Koshtyal, A.O.I. Krause, J. Kuhs, I. Kärkkänen, M.L. Kääriäinen, T. Kääriäinen, L. Lamagna, A.A. Łapicki, M. Leskelä, H. Lipsanen, J. Lyytinen, A. Malkov, A. Malygin, A. Mennad, C. Militzer, J. Molarius, M. Norek, Ç.Ö. Akgün, M. Panov, H.Pedersen, F. Piallat, G. Popov, R.L. Puurunen, G. Rampelberg, R.H. A. Ras, E. Rauwel, F. Roozeboom, T. Sajavaara, H. Salami, H. Savin, N. Schneider, T.E. Seidel, J. Sundqvist, D.B. Suyatin, T. Törndahl, J. R. Ommen, C.Wiemer, O.M.E. Ylivaara, O. Yurkevich, "Recommended reading list of early publications on Atomic Layer Deposition-outcome of the Virtual Project on the History of ALD" ,Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, 35 (2017) 010801


  1. B. Zhou, W. Luo, J.Q. Yang, X.B. Duan, Y.W. Wen, H.M. Zhou, R. Chen*, and B. Shan*, "Thermal conductivity of aligned CNT/polymer composites studied using mesoscopic simulation" ,Composites: Part A, 90 (2016) 410-416
  2. R. Chen, J.L. Lin, W.J. He, C.L. Duan, Q. Peng, X.L. Wang, and B. Shan, "Spatial atomic layer deposition of ZnO/TiO2 nano-laminates" ,Journal of Vacuum Science & Technology A, 34 (2016) 051502
  3. P.F. Zhao, P.F. Yu, Z.J. Feng, R. Chen, L.W. Jia, J.Q. Wang, M.Q. Shen, and B. Shan*, "A Mullite Oxide Catalyst of SmMn2O5 for Three-Way Catalysis: Synthesis, Characterization, and Catalytic Activity Evaluation" ,RSC Advances,  6 (2016) 65950-65959
  4. C.L. Duan, Z. Deng, K. Cao, H.F. Yin, B. Shan, and R. Chen*, "Surface passivation of Fe3O4 nanoparticles with Al2O3 via atomic layer deposition in a rotating fluidized bed reactor" ,Journal of Vacuum Science & Technology A, 34 (2016) 4 04C103
  5. Z.J. Feng, J.Q. Wang, X. Liu, Y.W. Wen, R. Chen, H.F. Yin, M.Q. Shen, and B. Shan*, "Promotional role of La addition in the NO oxidation performance of a SmMn2O5 mullite catalyst", Catalysis Science & Technology, 6 (2016) 5580-5589
  6. K. Cao, X. Liu, Q.Q. Zhu, B. Shan*, and R. Chen*, "Atomically controllable Pd@Pt core shell nanoparticles towards PROX's reactions modulated by Pt shell thickness", ChemCatChem, 8 (2016) 326
  7. Q. Peng, J. Wang, Y.W. Wen, B. Shan, R. Chen, "Surface modification of LaFeO3 by Co-Pi electrochemical  RSC Advances, 6 (2016) 26192
  8. B. Zhou, W. Luo, J.Q. Yang, X.B. Duan, Y.W. Wen, H.M. Zhou, Rong Chen*, Bin. Shan*, "Simulation of dispersion and alignment of carbon nanotubes in polymer flow using dissipative particle dynamicsComputational Materials Science, 126 (2017) 35
  9. C.L. Duan, P.H. Zhu, Z. Deng, Y. Li,B. Shan,H.S. Fang, G. Feng,Rong Chen*, "Mechanistic modeling study on atomic layer deposition process optimization in a fluidized bed reactor" ,Journal of Vacuum Science & Technology A, 35 (2017) 01B102
  10. D.S. Gardner*, C.W. Holzwarth, Y. Liu, S.B. Clendenning, W. Jin, B.K. Moon, C. Pint, Z. Chen, E. Hannah, C. Chen, C.P. Wang, E. Mäkilä, R. Chen, T. Aldridge, J.L. Gustafson, "Integrated On-Chip Energy Storage Using Passivated Nanoporous-Silicon Electrochemical Capacitors" ,Nano Energy,  25 (2016) 68
  11. C. Zhang, B. Huang, L.H. Qian*, S.L. Yuan, S. Wang, R. Chen*, "Electrochemical Biosensor Based on Nanoporous Au/CoO Core-Shell with Synergistic Catalysis" ,ChemPhysChem, 17 (2016) 98
  12. Z. Deng, W.J. He, C.L. Duan, B. Shan, R. Chen*, "Atomic layer deposition process optimization by computational fluid dynamics", Vacuum, 123 (2016) 103.
  13. Z. Deng, W.J. He, C.L. Duan, R. Chen*, and B. Shan, "Mechanistic modeling study on process optimization and precursor utilization with atmospheric spatial atomic layer deposition" , Journal of Vacuum Science & Technology A, 34 (2016) 01A108


  1. Z. Deng , W.J. He, C.L.  Duan, B. Shan, R. Chen*,"Atomic layer deposition process optimization by computationalfluid dynamics" Vacuum, 123 (2016) 103-110
  2. Y.H.  Zhang ,X.Q. Zhou , K. Cao, X.G.  Chen, Z.  Deng , S.Y.  Liu ,B. Shan , R. Chen*," Ellipsometry study on Pd thin film grown by atomic layer deposition with Maxwell–Garnett effective medium approximation models" Thin Solid Films, 593 (2015) 144–149
  3. B. Huang, K. Cao, X. Liu, L.H. Qian, B. Shan* and R. Chen*, " Tuning the morphology and composition of ultrathincobalt oxide films via atomic layer depositionRSC Advances, 7 (2015) 71816–71823
  4. X.B.  Duan, B. Zhou, Y.W. Wen, R.Chen, H.M. Zhou, B.Shan* "Lattice inversion modified embedded atom method for bcc transition metals" Computational Materials Science, 98 (2015) 417–423
  5. L.L. Zhang, H.B.  Sun, X.L. Yang *, Y.W . Wen , Y.H. Huang ,M. Li , G. Peng a, H.C.  Tao, S.B. Ni, G.  Liang "Study on electrochemical performance and mechanism of V-doped Li2FeSiO4 cathode material for Li-ion batteriesElectrochimica Acta, 152 (2015) 496–504
  6. Z. Deng, W.J. He, C.L.  Duan, R. Chen, and B. Shan*,"Mechanistic modeling study on process optimization and precursor utilization with atmospheric spatial atomic layer deposition" Journal of Vacuum Science & Technology A, 34 (2016) 
  7. W.J. He, H.T. Zhang*, Z.Y. Chen, B. Chu, K. Cao, B. Shan, and R. Chen*, "Generalized Predictive Control of Temperature on an Atomic Layer Deposition ReactorIEEE TRANSACTIONS ON CONTROL SYSTEMS TECHNOLOGY, vol.PP (2015) no.99, pp.1,1
  8. C.J. Chen, Y.W. Wen(等同一作), X.L. Hu*, X.L. Ji, M.Y. Yan, L.Q. Mai, P. Hu, B. Shan, and Yunhui Huang*, "Na+ intercalation pseudocapacitance in graphene coupled titanium oxide enabling ultra-fast sodium storage and long-term cyclingNature Communications6 (2015) 6929[PDF]
  9. Z. Chen, Z.J. Feng, Y.X. Zhang, L.J. Hu, R. Chen, B. Shan*, H.F. Yin*, W.G. Wang, A.S. Huang, "Enhanced Catalytic Activity for NO oxidation over Ba doped LaCoO3 CatalystRSC Advances5 (2015) 28054[PDF]
  10. K. Cao, Q.Q. Zhu, B. Shan*, and R. Chen*, "Controlled Synthesis of Pd/Pt Core Shell Nanoparticles Using Area-selective Atomic Layer DepositionScientific Reports5 (2015) 8470[PDF]
  11. B. Huang, W.J. Yang, Y.W. Wen, B. Shan*, R. Chen*, "Co3O4 Modified TiO2 Nanotube Arrays via Atomic Layer Deposition for Improved Visible-Light PhotoelectrochemicalPerformanceACS Applied Materials & Interfaces7 (2015) 422[PDF]
  12. Z.Q. Yi, L.X. Yuan*, D. Sun, Z. Li, C. Wu, W.J. Yang, Y.W. Wen, B. Shan*, and Y.H. Huang*, "High-Performance Lithium-Selenium Batteries Promoted by Heteroatom-Doped Microporous CarbonJournal of Materials Chemistry A3 (2015) 3059[PDF]
  13. P. Hu, D.F. Hou, Y.W. Wen, B. Shan, C.J. Chen, Y.H Huang*, and X.L. Hu*, "Self-assembled 3D hierarchical sheaf-like Nb3O7(OH) nanostructures with enhanced photocatalytic activityNanoscale7 (2015) 1963[PDF]
  14. X.Liu, Y.W.Wen*, Z.Z.Chen, B.Shan, R.Chen*, "A first-principles study of sodium adsorption and diffusion on phosphorenePhysical Chemistry Chemical Physics., 17 16398 (2015).[PDF]
  15. Z.Z.Chen, X.Liu(等同一作),K.Cho, R.Chen*, B.Shan*, "Density functional theory study of the oxygen chemistry and NO oxidation mechanism on low-index surfaces ofSmMn2O5 mulliteACS Catalysis, 5 (2015) 4913 [PDF]
  16. Q.Peng, B.Shan, Y.W.Wen* and R.Chen*, "Enhancedchargetransport of LaFeO3 via transition metal (Mn, Co, Cu) doping for visible light photoelectrochemical water oxidationInternational  Journal of Hydrogen Energy, 2015.(accept)[PDF]
  17. Y.W.Wen, X.Liu, X.B.Duan, K.Cho, R.Chen* and B.Shan*, "Theoretical Study of Li-Doped sp2−sp3 Hybrid Carbon Network for Hydrogen StorageJournal of Physical Chemistry C, 19 (2015) 15831.[PDF]
  18. C.L.Duan, X.Liu, B.Shan* and R.Chen*, "Fluidized bed coupled rotary reactor for nanoparticles coating via atomic layer depositionReview of Scientific Instruments, 86 (2015) 075101[PDF]
  19. W.J.He, H.T.Zhang,Z.Y.Chen,  J.L.Lin, K.Tian, B.Shan*, and R.Chen*," Temperature Control for Nano-Scale Films by Spatially-Separated Atomic Layer Deposition based on GeneralizedPredictive ControlIEEE Transactions on Nanotechnology, Volume PP Issue 99,(2015)[PDF]


  1. X.B. Duan, B. Zhou, Y.W. Wen, R.  Chen, H.M. Zhou, and B. Shan*, "Lattice inversion modified embedded atom method for bcc transition metalsComputational Materials Science, 98 (2015) 417 [PDF]
  2. B. Huang, W.J. Yang, Y.W. Wen, B. Shan*, R. Chen* "Co3O4 Modified TiO2 Nanotube Arrays via Atomic  Layer Depositionfor Improved Visible-Light Photoelectrochemical Performance" ACS Appl Mater Interfaces, 2014[PDF]
  3. K. Cao, B. Huang, Y.H.  Zhang, X. Liu, B. Shan, and R. Chen* "Promoted Platinum Catalytic Activity and Thermal Stability with Nano-scale Cobalt Oxide Coating via Atomic Layer
    " ECS  Transactions64 (9) 159-166 (2014)[PDF]
  4. X. Liu, Y.W. Wen, B. Shan, K. Cho, Z. Chen*, R. Chen*, "Combined effects of defects and hydroxyl groups on the electronictransport properties of reduced graphene oxideAppl. Phys. A 2014[PDF]
  5. W.J. Yang, Y.W. Wen, D.W. Zeng, Q.B. Wang, R. Chen,W.C. Wang* and B. Shan*  "Interfacial charge  transfer and
    enhanced photocatalytic performance for the heterojunction WO3/BiOCl: firstprinciples study
    "  Journal of Materials  Chemistry A ,2 (2014) 20770[PDF]
  6. X.B. Duan, B. Zhou, R. Chen, H.M. Zhou, Y.W. Wen* and B. Shan*, "Development of lattice inversion modified embedded atom method and its applicationsCurrent Applied Physics, 14 (2014) 1794 [PDF]
  7. W.J. Yang, Y.W. Wen, R. Chen, D.W. Zeng* and B. Shan*, "Study of structural, electronic and optical properties of tungsten doped bismuth oxychloride by DFT calculationsPhysical Chemistry Chemical Physics, 16 (2014)21349 [PDF]
  8. X. Liu,Z.Z. Chen, Y.W. Wen, R. Chen*, and B.Shan*, "Surface stabilities and NO oxidation kinetics on hexagonalphase LaCoO3 facets: a first-principles studyCatalysis Science & Technology, 4 (2014)3687 [PDF]
  9. G. Tang,S.Q. Tian, Z.X. Zhou, Y.W. Wen, A.M. Pang, Y.G. Zhang, D.W. Zeng*, H.T. Li, B. Shan* and C.S. Xie, "ZnO Micro/Nanocrystals with Tunable Exposed (0001) Facets for Enhanced Catalytic Activity on the Thermal
    Decomposition of Ammonium Perchlorate
    Journal of Physical Chemistry C, 118 (2014)11833 [PDF]
  10. B. Ma, C. Gong, Y.W. Wen*, R. Chen, K. Cho, and B. Shan*  Modulation of contact resistance between metal and graphene by controlling the graphene edge, contact area and point defects: an ab initio study”, Journal of Applied Physics, 115 (2014) 183708 [PDF]
  11. C. Zhou, X. Liu, C.Z. Wu, Y.W. Wen, Y.J. Xue, R. Chen, Z.L. Zhang, B. Shan*, H.F. Yin*, and W.G. Wang, "NO Oxidation Catalysis on Copper Doped Hexagonal Phase LaCoO3: A Combined Experimental and Theoretical
    Physical Chemistry Chemical Physics, 16 (2014) 5106 [PDF]
  12. G. Tang, Y.W Wen, A.P. Pang, D.W. Zeng*,Y.G. Zhang, S.G. Tian, B. Shan*, and C.S. Xie, "The atomic origin of high catalytic activity of ZnO nanotetrapods for decomposition of ammonium perchlorateCrystEngComm, 16 (2014) 570 [PDF]
  13. Hu Long, Tielin Shi, Shulan Jiang, Shuang Xi, Rong Chen, Shiyuan Liu, Guanglan Liao, Zirong Tang "Synthesis of nanowire self-assembled hierarchical ZnCo2O4 shell/Ni current collector core as binder-free anodes for
    high-performance Li-ion batteries
    " Journal of Materials  Chemistry A, 2 (2014) 3741 [PDF]
  14. Qingbo Wang, Yanwei Wen, Rong Chen*, Bin Shan*, "A hybrid functional study of the electronic and optical properties of tetragonal PbO-type phase of ZnO under
    Journal of Alloys and Compounds, 586 (2014) 611 [PDF]
  15. Xiaojian Tan, Hezhu Shao, Yanwei Wen, Huijun Liu and Guoqiang Liu*, "Three-dimensional hybridized carbon networks for high performance thermoelectric applicationsRSC Advances4 (2014)  42234 [PDF]


  1. D.F. Hou, X.L. Hu*, Y.W. Wen, B. Shan*, P. Hu, X.Q. Xiong, Y. Qiao, and Y.H. Huang, "Electrospun sillenite Bi12MO20 (M = Ti, Ge, Si) nanofibers: general synthesis, band structure, and photocatalytic
    Physical Chemistry Chemical Physics, 15 (2013) 20698 [PDF]
  2. Q.B. Wang, Y.W. Wen, R. Chen*, and B. Shan* , "A hybrid functional study of the electronic and optical properties of tetragonal PbO-type phase of ZnO under
    Journal of Alloys and Compounds, 586 (2013) 611 [PDF]
  3. W.J. Yang, B. Ma, W.C. Wang, Y.W. Wen, D.W. Zeng*, and B. Shan*, "Enhanced photosensitized activity of BiOCl-Bi2WO6 heterojunction by effective interfacial charge transferPhysical Chemistry Chemical Physics, 15 (2013) 19387 [PDF]
  4. X. Liu, Y.W. Wen*, Z.Z. Chen, H. Lin, R. Chen, K. Cho, and B. Shan*, "Modulation of Dirac points and band-gaps in graphene via periodic fullerene adsorptionAIP Advances, 3 (2013) 052126 [PDF]
  5. Y. W. Wen, X. Liu, X.B. Duan, K. Cho, R. Chen*, and B. Shan* , "Theoretical Study of sp2?sp3 Hybridized Carbon Network for Li-ion Battery AnodeJournal of Physical Chemistry C 117 (2013) 4951 [PDF]
  6. Y.W. Wen, X. Liu, X.B. Duan, R.Chen*, and B. Shan* , "First-principles study of the structural, energetic and electronic properties of C20-carbon nanobudsModelling Simul. Mater. Sci. Eng, 21 (2013) 035006 [PDF]
  7. W.J. Yang, Q. Peng, R. Chen, Y.W. Wen*, B. Shan , "Correlation between Hydrophilicity and Surface Aggregation in Anodized TiO2 Nanotube ArraysPhysics Procedia, 48 (2013) 220 [PDF]
  8. Wenjie He, Bo Chu, Rui Gu, Haitao Zhang, B. Shan, R. Chen"The Application of Generalized Predictive Control in the Radiant Heating Atomic Layer Deposition ReactorIEEE ISAM Proc, 2013 [PDF]
  9. K. Cao, Z.L. Ren, S.M. Xiang, B. Shan, and R. Chen*, "Atomic layer deposition of nanoparticles on self-assembled monolayer modified silicon substrateMater. Res. Soc. Symp. Proc, Vol. 1546(2013)  [PDF]
  10. B. Ma, Y.W. Wen*, X. Liu, and B. Shan*, "Electronic transport properties of atomic scale graphene metal side contactMater. Res. Soc. Symp. Proc, Vol. 1546, (2013) DOI:10.1557/opl(2013)865  [PDF]
  11. X.Q. Zhou,Y. Zhang, Z.Q. Dong, S.Y. Liu, C.W. Zhang,B. Huang, K. Cao, B. Shan, R. Chen*, "Ellipsometry Study on Nanoparticles Grown by Atomic Layer DepositionMater. Res. Soc. Symp. Proc, 1546 (2013)  [PDF]
  12. T. Zhou, H.W. Jiang, Y. Xiao, Y.B. Yao, B. Shan, and R. Chen*, "Single Wafer Atomic Layer Deposition Reactor DesignAdvaned Materials Research, 668 (2013) 7678  [PDF]
  13. Bin Huang, Yifu Guo, Yunlong Tian, Yanwei Wen, Bin Shan, Rong Chen*, "Concentration Effect on Anodizing Aluminum Oxide Formation and its Application in Fabrication of Fish-bone like
    ECS Trans50 (37)(2013) 279  [PDF]
  14.  Y.W. Wen, H.J. Liu, L. Pan, X.J. Tan, H.Y. Lv, J. Shi, X.F. Tang, "Reducing the thermal conductivity of silicon by nanostructure PatterningApplied Physics. A, 110 (2013) 93-98[PDF]


  1. W. Wang, G. McCool, N. Kapur, G. Yuan, B. Shan, M. Nguyen, U. Graham, B. Davis, G. Jacobs, K. Cho, and X. Hao, "Mixed-Phase Oxide Catalyst Based on Mn-Mullite (Sm,Gd)Mn2O5 for NO Oxidation in Diesel ExhaustScience, 337 (2012)832  [PDF]
  2. C. Gong, D. Hinojos, W. Wang, N. Nijemt, B. Shan, K. Cho, and Y. J. Chabal, "Metal-Graphene-Metal Sandwich Contacts for Enhanced Interface Bonding and Work Function Control" American Chemical Society  Nano, 6 (2012) 5381  [PDF]
  3. H. Lin, Y.W Wen, C.X. Zhang, L.L. Zhang, Y.H. Huang, B. Shan*, and R. Chen, "A GGA+U Study of Electronic Conductivity and Lithium Diffusion in Vanadium Doped LiFePO4Solid State Communications, 152 (2012)999  [PDF]
  4. J. Cao, Z. Xie, X.B. Duan, Y. Dong, Z. Wang, J. Xu, B. Liang, B. Shan, J. Ye, D. Chen, G. Shen, "Visible-light-driven photocatalytic and photoelectrochemical properties of porous SnSx (x=1,2) architecturesCrystEngComm, 14 (2012) 3163  [PDF]
  5. W. Wang, W. Yang, R. Chen, X. Duan, Y. Tian, D. Zeng*, and B. Shan*, "Investigation of band offsets of interface BiOCl:Bi2WO6: a first-principles study" Physical Chemistry Chemical Physics, 14 (2012) 2450  [ PDF]
  6. R. Chen, Z. Chen, B. Ma, X. Hao, N. Kapur, J. Hyun, K. Cho*, and B. Shan*, "CO Adsorption on Pt(111) and Pd(111) Surfaces: A First-Principles Based Lattice Gas Monte-Carlo StudyComputational and Theoretical Chemistry, 987 (2012)77  [PDF]
  7. L. Pan, H.J. Liu, Y.W. Wen, X.J. Tan, H.Y. Lv, J. Shi, X.F. Tang, "Magnetic and electronic properties of silicane with hydrogen vacancies on the surfaceApplied. Surface. Science, 258 (2012) 10135 [PDF]
  8. H.Y. Lv, H.J. Liu, X.J. Tan, L. Pan, Y.W. Wen, J. Shi, X.F. Tang,  "The properties of BiSb nanoribbons from first-principles calculationsNanoscale, 4 (2012) 511 [PDF]
  9.  X.J. Tan, H.J. Liu, Y.W. Wen, H.Y. Lv, L. Pan, J. Shi, X.F. Tang,  "Optimizing the thermoelectric performance of zigzag and chiral carbon nanotubes" Nanoscale Research Letters7 (2012)116 [PDF]
  10. X.B. Duan, Z.Z. Chen, N. Kapur, X. Hao, K. Cho, and B. Shan*, "Development and Application of Chen-Mobius Lattice Inversion Potential for PdAu AlloyMater. Res. Soc. Symp. Proc  [PDF]
  11. Weichao Wang, Cheng Gong, Bin Shan, Robert M. Wallace, and Kyeongjae Cho, "Sulfur Passivation Effect on HfO2/GaAs Interface: A First-Principles Study" Applied Physics Letters, 98 (2011) 232113  [PDF]
  12. Z.Z. Chen, B. Shan*, R. Chen*"Electronic origin of the phase transition in ternary alloy Mo(Si1-x,Alx)2Applied Physics Letters, 98 (2011) 101903  [PDF]
  13. Noureddine Tayebi, Yuegang Zhang, Robert J. Chen, Quan Tran, Rong Chen, Yoshio Nishi, Qing Ma, Valluri Rao, "An ultraclean tip-wear reduction scheme for ultrahigh density scanning probe-based data storage" , American Chemical Society Nano, 4 (10)(2010) 5713 [PDF]
  14. C. Gong, G. Lee, B. Shan, E.M. Vogel, R.M. Wallace, and K. Cho, "First-Principles Study of Metal-Graphene InterfacesJournal of Applied Physics,108 (2010) 123711  [ PDF]
  15. N. Kapur, B. Shan, J. Hyun, L. Wang, S. Yang, J.B. Nicholas, and K. Cho, "First Principles Study of CO Oxidation on Bismuth Promoted Pt(111) SurfacesMolecular Simulation,1029-0435 (2011 Coverage page article)  [PDF]
  16. Y. W. Wen, H. J. Liu, L. Pan, X.J. Tan, H. Y. Lv, J. Shi, X. F. Tang,  "A triplet form of (5, 0) carbon nanotube with higher hydrogen storage capacityJournal of Physical. Chemistry. C115 (2011) 9227 [PDF]
  17.  X.J. Tan, H.J. Liu, Y.W. Wen, H.Y. Lv, L. Pan, J. Shi, X.F. Tang, "Thermoelectric Properties of Ultrasmall Single-Wall Carbon Nanotubes", Journal of Physical. Chemistry. C, 115 (2011)21996[PDF]
  18.  L. Pan, H.J. Liu, Y.W. Wen, X.J. Tan, H.Y. Lv, J. Shi, X.F.Tang, "First-principles study of monolayer and bilayer honeycomb structures of group-IV elements and their binary
    Physics Letters A, 375 (2011) 614 . [PDF]
  19. B. Shan*, and K. Cho , "Oxygen Dissociation on Nitrogen-doped Single Wall Nanotube: A First-principles StudyChemical Physics Letters, 492(2010)131  [PDF]
  20. N. Kapur, J. Hyun, B. Shan, J.B. Nicholas, K. Cho, "Ab-Initio Study of CO Hydrogenation to Oxygenates on Reduced Rh Terraces and Stepped SurfacesJournal of Physical Chemistry C, 114(2010)10171  [PDF]
  21. C Gong, G Lee, W Wang, B. Shan, E. M. Vogel, R. M. Wallace, and K. Cho, "First-Principles and Quantum Transport Studies of Metal-Graphene End Contacts" Mater. Res. Soc. Symp. Proc, 1259 (2010) S14-35  [PDF]
  22. Y.W. Wen, H.J. Liu, X.J. Tan, L. Pan, J. Shi, "First-principles study of alkali-atom doping in a series of zigzag and armchair carbon nanotubes" Journal of Applied. Physics, 107 (2010) 034312 [PDF]
  23.  Y.W. Wen, H. J. Liu, L. Miao, Y. Hu, "Theoretical study of alkali atom doped outside 4 Å carbon nanotubes", 10 (2010) 5399 [PDF]
  24.  Y.W. Wen, H.J. Liu, X.J. Tan, L. Pan, J. Shi, "Energetics of Stone-Wales defects in 4 Å carbon nanotubes",  Journal. Nanoscience and Nanotechnology, 10 (2010) 2332 [PDF]
  25.  H.Y. Lv, H.J. Liu, L. Pan, Y.W. Wen, X.J. Tan, J. Shi, X.F. Tang, "Enhanced thermoelectric performance of (Sb0.75Bi0.25)2Te3 compound from first-principles calculationsApplied Physical Letters96(2010)142101[PDF]
  26.  H.Y. Lv, H.J. Liu, L. Pan, Y.W. Wen, X.J. Tan, J. Shi, X.F. Tang, "Structural, electronic, and thermoelectric properties of BiSb nanotubes" Journal of Physical  Chemistry C, 114 (2010)21234[PDF]
  27.  L. Pan, H.J. Liu, Y.W. Wen, X.J. Tan, H.Y. Lv, J. Shi, "Energetics and electronic properties of small diameter Si and Ge nanotubesJournal of Computational and Theoretical  Nanoscience, 7 (2010) 1935[PDF]
  28. B. Shan*, L. Wang, S. Yang, Y. Zhao, J. Hyun, J.B. Nicholas and K. Cho, "First-principles-based embedded atom method for PdAu nanoparticles" Physical Review B, 80 (2009) 035404  [PDF]
  29. B. Shan*, Y. Zhao, J. Hyun, N. Kapur, J.B. Nicholas and K. Cho*, "Coverage Dependent CO Adsorption Energies from First-Principles" Journal of Physical Chemistry C, 113 (2009) 6088  [PDF]
  30. B. Shan*, N. Kapur, J. Hyun, L. Wang, J.B. Nicholas, and K. Cho*, "CO-Coverage-Dependent Oxygen Dissociation on Pt(111) Surface" Journal of Physical Chemistry C, 113 (2009) 710  [PDF]
  31. B. Shan*, J. Hyun, N. Kapur, S. Yang, J.B. Nicholas and K. Cho, "Monte-Carlo Simulations of PdAu Bimetallic Alloy Surface under Realistic CO Coverage" Mater. Res. Soc. Symp. Proc, 1177 (2009) Z02-06  [PDF]
  32. X. Hao, B. Shan, J. Hyun, N. Kapur, K. Fujdala, T. Truex and K. Cho, "Experimental and Theoretical Study of CO Oxidation on PdAu Catalysts with NO Pulse Effects" Topics in Catalysis, (2009) 1022-5528  [PDF]
  33. Y.W. Wen, H.J. Liu, L. Miao, L. Pan, J. Shi, "Electronic and electrochemical properties of Li-doped carbon nanotube-zeolite complex" Physical Chemistry Chemical. Physics, 11 (2009) 632[PDF]
  34.  L. Miao, H.J. Liu, Y.W. Wen, X. Zhou, C.Z. Hu, J. Shi, "Binding energies and electronic properties of hydrogen adsorptions on 4-Å carbon nanotubes" Journal of Computational and Theoretical Nanoscience, 6 (2009) 369[PDF]
  35. B. Shan*, L. Wang, J. Hyun, S. Yang, Y. Zhao, and J.B. Nicholas, "Dissociative Adsorption of O2 on Clean and CO-precovered Pt Surfaces" Mater. Res. Soc. Symp. Proc, 1084 (2008) S03-02  [PDF]
  36. B. Shan*, L. Wang, J. Hyun, S. Yang, Y. Zhao, and J.B. Nicholas, "CO Coverage Effects on Pt (111) from First-Principles Calculations" Mater. Res. Soc. Symp. Proc, 1084 (2008) S05-01  [PDF]
  37. Xirong Jiang, Rong Chen, Stacey F. Bent, "Spatial control over atomic layer deposition using microcontact-printed resists" Surface and  Coatings. Technology, 21(2007)8799. [PDF]
  38. Bin Shan and Kyeongjae Cho “First-principles study of work functions of double-wall carbon nanotubesPhysical Review B, 73 (2006) 081401  [PDF]
  39. A. Nojeh, B. Shan, K. Cho, and R.F.W. Pease, "Ab initio Modeling of the Interaction of Electron Beams and Single-Walled Carbon Nanotubes" Physical Review Letters, 96 (2006) 056802  [PDF]
  40. P. Leu, B. Shan, K. Cho, "Surface chemical control of the electronic structure of silicon nanowires: Density functional calculations" Physical Review B, 73 (2006) 195320  [PDF]
  41. Rong Chen, Stacey F. Bent, "Chemistry for positive pattern transfer by area-selective atomic layer deposition" Advanced. Materials18 (2006) 1086. [PDF]
  42. Rong Chen, Stacey F. Bent, "Highly stable monolayer resists for atomic layer deposition on germanium and silicon" Chemistry of Materials, 18 (2006) 3733 [PDF]
  43. Bin Shan and Kyeongjae Cho, "First-Principles Study of Band Gap Change in Deformed NanotubesApplied Physics Letters, 87 (2005) 173109  [PDF]
  44. Bin Shan and Kyeongjae Cho, "First Principles Study of Work Functions of Single Wall Carbon NanotubesPhysical Review Letters, 94 (2005) 236602  [PDF]
  45. Rong Chen, Hyoungsub Kim, Paul C. McIntyre, David W. Porter, Stacey F. Bent, "Achieving area-selective atomic layer deposition on patterned substrates by selective surface modification" Applied Physics Letters, 86 (2005) 191910. [PDF]
  46. Rong Chen, Hyoungsub Kim, Paul C. McIntyre, Stacey F. Bent, "Investigation of self-assembled monolayers as deactivating agents for atomic layer deposition of HfO2 high-k gate dielectric" Chemistry of Materials, 17 (2005) 536. [PDF]
  47. Bin Shan and Kyeongjae Cho, "Ab initio study of Schottky barriers at metal-nanotube contactsPhysical Review B, 70 (2004) 233405  [PDF]
  48. Rong Chen, Hyoungsub Kim, Paul C. McIntyre, Stacey F. Bent, "Self-assembled monolayer resist for atomic layer deposition of HfO2 and ZrO2 high-k gate dielectrics"  Applied Physics Letters, 84 (2004) 4017 [PDF]
  49. Yuhui Cheng, Lei Liu, Yao Fu, Rong Chen, Xiaosong Li, Qingxiang Guo, "Counterion effects on the cation-pi interaction between alkaline earth cations and benzeneJournal of  Physical  Chemistry. A, 106 (2002) 11215 [PDF]
  50. Lei Liu, Yuhui Cheng, Yao Fu, Rong Chen, Qingxiang Guo, "The nonpolar resonance effects and the non-hammett behaviorsJournal of  Chemical Information ang Computer, Science 4220021164 [PDF]
  51. Rong Chen, Yuhui Cheng, Lei Liu, Xiaosong Li, Qingxiang Guo, "Pi-type and sigma-type cation-pi complexes of atomic cations" Research on Chemistry Intermediats, 28 (2002) 41 [PDF]
  52. Rong Chen, Kechun Zhang, Lei Liu, Xiaosong Li, Qingxiang Guo, "Substituent effects in X-C C-H center dot center dot center dot NH3 (or OH2, FH) hydrogen bonding" Chemical. Physics. Letters, 338 (2001) 61 [PDF]
  53. Rong Chen, Kechun Zhang, Lei Liu, Qingxiang Guo, "A quantum chemistry study on the structure and properties of a novel stable strained cyclophaneResearch on Chemistry. Intermediats, 27 (2001) 911 [PDF]