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46 积分 2025-03-05 加入
Repairing single and double atomic vacancies in a C3N monolayer with CO or NO molecules: a first-principles study
2天前
已完结
Ab initio study of Ti-doped C3N nanosheet as COCl2, O3, and HCN gas sensor
18天前
已完结
Tuning Electronic Structure and Optical Properties of Monolayered h-BN by Doping C, Cu and Al
1个月前
已完结
First-principles study on mechanical and electronic properties of C3N monolayer collaboratively regulated by charged vacancy defect and uniaxial strain
1个月前
已完结
Structural, electronic and photocatalytic properties of g-C3N4 with intrinsic defects: A first-principles hybrid functional investigation
1个月前
已完结
Introducing novel electronic and magnetic properties in C 3 N nanosheets by defect engineering and atom substitution
1个月前
已完结
Vacancy induced magnetism and electronic structure modification in monolayer hexagonal boron arsenide: A first-principles study
1个月前
已完结
Adsorption and modification behavior of single atoms on the surface of single vacancy graphene: Machine learning accelerated first principle computations
1个月前
已完结
Hazardous gas adsorption of Janus HfSeTe monolayer adjusted by surface vacancy defect: A DFT study
1个月前
已完结
Effects of S Doping and Oxygen Vacancy on the Physical Properties of Rutile TiO2 for Photocatalysis Applications Based on Density Functional Theory Study
1个月前
已完结
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