electronicproperties相关论文
A new boron nitride polymorph,P213 BN(space group:P213),is investigated by first-principles calculations,including its s......
MXenes are a new type of two-dimensional carbides with rich physical and chemical properties.The physics of MX-enes,and ......
Effect of structural vacancies on lattice vibration,mechanical,electronic,and thermodynamic properti
In recent years,transition metal silicides have become the potential high temperature materials.The ternary silicide has......
高温镍基合金由于其优异的性能而被广泛应用于航空航天领域,但其晶界脆性断裂和室温塑性差的缺点也在一定程度上限制了其发展.研究......
Semiconducting M2X (M =Cu,Ag,Au;X =S,Se,Te) monolayers:A broad range of band gaps and high carrier m
Two-dimensional semiconductors (2DSCs) with appropriate band gaps and high mobilities are highly desired for future-gene......
Polyoxometalates-engineered hydrogen generation rate and durability of Pt/CNT catalysts from ammonia
Heterogeneously catalyzed hydrolytic dehydrogenation of ammonia borane is a remarkable structure sen-sitive reaction.In ......
The electronic properties of two MgZnCa bulk metallic glasses (BMGs), Mg60Zn35Ca5 and Mg20Zn30Ca50, were investigated by......
Graphene has great potential applications in electronic and optical areas.However, its zero band gap lead to the disadva......
First principles simulations based on density functional theory have been performed to investigate the electronic struct......
Distinct Reconstruction Patterns and Spin-Resolved Electronic States along the Zigzag Edges of Trans
Two-dimensional transition metal dichalcogenides represent an emerging class of materials exhibiting various intriguing ......
Comparative studies of influence of adsorbates on the electronic properties of the twisted bilayer g
Graphene is a strictly two-dimensional sheet of sp2-bonded carbon atoms that can be considered as one atomic layer of gr......
The electronic structures of bulk and thin films of Sb2Te3 are theoretically studied employing spin-orbit coupling (SOC)......
First-Principles Calculation of K1-xNaxNbO3 Solid Solutions On Phase Transition,and Electronic Prope
We study the K1-xNaxNbO3(KNN)structure,phase transition from orthorhombic to tetragonal electronic properties as a funct......
Phase stability, elastic and electronic properties of Ce-X(X=Pb, Sb and Te) intermetallics from firs
The phase stability, electronic and elastic properties of the Ce-X(X=Pb, Sb and Te)intermetallic compounds has been inve......
The crystal-facet effect on the structural stability and electronic properties of wurtzite InP nanowires (NWs) with diff......
Elastic and electronic properties of XB2 (X=V, Nb, Ta, Cr, Mo, W) with AlB2 structure from first pri
The crystal structure, electronic properties, mechanical properties, anisotropy of XB2 (X=V, Nb, Ta, Cr, Mo, W) were cal......
First-principles calculations of the mechanical and electronic properties of Fe-W-C ternary compound
The mechanical and electronic properties of Fe-W-C (Fe2W2C, Fe3W3C, Fe6W6C and Fe21W2C6) ternary compounds were investig......
The stability, elasticity, hardness and electronic properties of Mn-C binary compounds are investigated by first-princip......
Graphene has been suggested in wide-ranging applications due to its novel electronic,thermal,mechanical,and chemical pro......
基于卡里普索结构预测方法和密度泛函理论,研究了Ni原子掺杂 B20-团簇的结构、电子和光谱特性。首先在PBE0/6-311 G(d)标准下优化......
三元过渡金属氮化物ANiN(A=Li,Na,Mg,Ca)是潜在的可充放电池的电极材料.物理性质,比如热稳定性、电子能隙以及弹性稳定性等,对于这......
Theoretical Investigation on the Structural Stability and Electronics Properties of 3C-SiC Nanocryst
Theoretical Investigation on the Structural Stability and Electronics Properties of 3C-SiC Nanocrystals Ya-Ting Wang and......
It has been shown that thin antimony films can have topological surface states by adsorption of nonmagnetic impurity......
The precipitation sequence in Al-Cu-Li alloys is sensitively dependent on the Cu/Li ratio.In the low ratio Cu/Li alloys ......
Engineering the electronic properties of semiconductor-based photocatalysts using elemental doping is an effective appro......
