2021年10月15日-20日,第二十届全国催化学术会议在武汉市召开,会议由中国化学会催化专业委员会主办,武汉理工大学、中南民族大学、中石化石油化工科学研究院及湖北省化学化工学会催化专业委员会联合承办。本次会议的主题是“面向绿色低碳高质量经济发展的催化科学及技术”,旨在交流探讨“双碳”目标背景下我国催...
日期:2021-11-05 浏览:701次 阅读全文
(adsbygoogle = window.adsbygoogle || []).push({}); In this paper, a series of self-assembled monolayers (SAMs) has been investigated as deactivating agents for the atomic layer deposition (ALD) of HfO2. Three important factors that determine the capacity of self-assembled monolayers to preven...
日期:2014-09-03 浏览:1095次 阅读全文
(adsbygoogle = window.adsbygoogle || []).push({}); Recent experiments showed beneficial influence of vanadium doping on the electrochemical performance of lithium iron phosphate (LiFePO4) cathode materials. First-principles calculations have been performed to investigate the stability, electr...
日期:2014-09-03 浏览:891次 阅读全文
(adsbygoogle = window.adsbygoogle || []).push({}); Oxygen dissociation is one of the most critical steps in the CO oxidation reaction on transition metal surfaces. It has been shown both experimentally and theoretically that oxygen dissociation on clean platinum (Pt) surface proceeds via a p...
日期:2014-09-03 浏览:1086次 阅读全文
(adsbygoogle = window.adsbygoogle || []).push({}); Cobalt-based perovskite catalysts showed excellent performance towards NO–NO2 oxidation. We systematically investigated the influence of different levels of Cu-doping on the catalytic performance of hexagonal phase LaCoO3(LaCo1-xCuxO3 (x= 0....
日期:2014-09-03 浏览:1087次 阅读全文
(adsbygoogle = window.adsbygoogle || []).push({}); Sillenite Bi12MO20 (M = Ti, Ge, Si) nanofibers have been fabricated through a facile electrospinning route for photocatalytic applications. Uniform Bi12MO20 (M = Ti, Ge, Si) nanofibers with diameters of 100–200 nm and lengths of up to severa...
日期:2014-09-03 浏览:1051次 阅读全文
(adsbygoogle = window.adsbygoogle || []).push({}); The impact of sulfur passivation on the structural and electronic properties of the HfO2 /GaAs interface is investigated by density functional theory with a hybrid functional. The gap states at the HfO2 /GaAs interface arise from three major...
日期:2014-09-03 浏览:1888次 阅读全文
(adsbygoogle = window.adsbygoogle || []).push({}); Metal-graphene contact is a key interface in graphene-based device applications, and it is known that two types of interfaces are formed between metal and graphene. In this paper, we apply first-principles calculations to twelve metal-graphe...
日期:2014-09-03 浏览:1173次 阅读全文
(adsbygoogle = window.adsbygoogle || []).push({}); Single-walled carbon nanotubes are readily observable in a scanning electron microscope, which traditional models fail to explain. We present an ab initio model to explain how the electron beam can interact with these structures despite the ...
日期:2014-09-03 浏览:1064次 阅读全文
(adsbygoogle = window.adsbygoogle || []).push({}); A systematic first-principles non-equilibrium Green’s function study is conducted on the contact resistance between a series of metals (Au, Ag, Pt, Cu, Ni, and Pd) and graphene in the side contact geometry. Different factors such as the term...
日期:2014-09-03 浏览:1090次 阅读全文