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(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...
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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....
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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...
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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...
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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...
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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 ...
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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...
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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 ...
(adsbygoogle = window.adsbygoogle || []).push({}); 本实用新型公开了一种激光雕刻机的运动机构，包括主动运动机构，从动运动机构，激光头运动机构，第一方向导轨，第二方向运动导轨和支撑框架，第一方向运动导轨为两条，分别固定在支撑框架相对平行的两边框上，主动运动机构和从动运动机构分别设置在一条第一方向...
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Different levels of theoretical methods have been used to study a novel stable cyleophane 1,8- [1,8-naphthalenediylbis(4'.4-biphenyldivl)] naphthalene. It was concluded that HF/3-21g* was the most efficient method for the system, which could...