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130 积分 2021-10-18 加入
From molecules to solids with the DMol3 approach
9个月前
已完结
The calculation of atomic fields
9个月前
已完结
Intermediate phases in synthesis of Ti3SiC2 and Ti3Si(Al)C2 solid solutions from elemental powders
9个月前
已完结
Synthesis and mechanical properties of Nb2AlC and (Ti,Nb)2AlC
9个月前
已完结
A piezoelectric quantum spin Hall insulator with Rashba spin splitting in Janus monolayer SrAlGaSe4
1年前
已完结
Electronic Structure and Optical Spectra of MSi2N4 (M = Mo, Ta, V) Material with Single-Atom Decoration: A First-Principle Study
1年前
已完结
A novel broken-gap chemical-bonded SiC/Ti2CO2 heterojunction with band to band tunneling: First-principle investigation
1年前
已完结
Broken-gap type-III band alignment in monolayer halide perovskites/antiperovskite oxides van der Waals heterojunctions
1年前
已完结
InN/XS2 (X = Zr, Hf) vdW heterojunctions: promising Z-scheme systems with high hydrogen evolution activity for photocatalytic water splitting
1年前
已完结
Modulating the Schottky barrier of MXenes/2D SiC contacts via functional groups and biaxial strain: a first-principles study
1年前
已完结
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