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410 积分 2026-04-23 加入
Simulation from the first principal theory on the effect of supporting silica on graphene and the new composite material
3个月前
已完结
First-principles study on the electronic structures and optical properties of ZnV2O6
3个月前
已完结
Two-dimensional Janus monolayers SPtAZ2 (A = Si and Ge; Z = N, P, and As): insight into their photocatalytic properties via first-principles calculations
3个月前
已完结
Predicted stable two-dimensional semiconductor TiOS materials with promising photocatalytic properties: First-principles calculations
3个月前
已完结
On the self-consistency of DFT-1/2
3个月前
已完结
First-principles study of two-dimensional ferroelectrics using self-consistent Hubbard parameters
3个月前
已完结
Structural and electronic properties of ZnO: A first-principles density-functional theory study within LDA(GGA) and LDA(GGA)+U methods
3个月前
已完结
Effect of point defects on the electronic density of states of ScN studied by first-principles calculations and implications for thermoelectric properties
3个月前
已完结
Structure design and properties investigation of Bi2O2Se/graphene van der Waals heterojunction from first-principles study
3个月前
已完结
Mechanism for hydrogen evolution from water splitting based on a MoS2/WSe2 heterojunction photocatalyst: a first-principle study
3个月前
已完结
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