Electronicproperty相关论文
通过基于密度泛函理论的第一性原理计算,研究了Mg单掺杂、N单掺杂和不同浓度的Mg-N共掺杂β-Ga2 O3的结构性质、电子性质和光学性......
Electronic properties of oxidized graphene nanoribbons are investigated by using crystal orbital method based on density......
Stability and Electronic Property of [VnW6-nO19](2+n)-(n =0,1,2,3,4,6):Insights from Density functio
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Layer-Dependent Electronic Properties of Phosphorene-like Materials and Phosphorene-Based van der Wa
Black phosphorus is a layered semiconducting allotrope of phosphorus with high carrier mobility.Its monolayer form,phosp......
The structures,electronic characters and the dissociation energies of small heteroatomic dimers,trimers,tetramers and pe......
The Evolution Between Monolayer And Bilayer Magneto-Optical Properties In Non-Uniform Graphene Nanor
During fabricating monolayer or few-layer graphene nanoribbons(GNRs),non-uniform GNRs(or hybrid graphene flakes)would be......
基于平面波赝势密度泛函理论，采用局域密度近似(LDA)方法研究了Sb 掺杂SnO2 的电子结构和光学性质。计算结果表明，与本征SnO2 比较，Sb......
Herein we have investigated the interaction between hydrazoic acid (HN3) and a pristine graphyne system based on density......
Boron nitride(BN)nanomaterials share the same atomic structures as their carbon counterparts,with mechanical and thermal......
Ladder-type π-conjugated molecules with ful y ring-fused structures have fascinating optoelectronic properties because ......
