Lv12
20 积分 2024-10-15 加入
Investigating the Optoelectronic Characteristics of Multilayer C and BN Corographene using Density Functional Theory
1小时前
求助中
Influence of Alkali Metal Doping and BN Substitution on the Second-Order Nonlinear Optical Properties of Graphyne: A Theoretical Perspective
1小时前
已完结
Study of heteroatom-doped graphene properties using DFT/TD-DFT, QTAIM, NBO, and NCI calculations
1小时前
已完结
The boron nitride (B116N124) fullerene: Stability and electronic properties from DFT simulations
1小时前
已完结
Obtaining (BN)4C10 with excellent optoelectronic properties by screening boron-nitrogen analogues of cyclo[18]carbon, (BN)nC(18-2n) (n = 1–9)
8天前
已完结
Achieving excellent optical molecules by screening superalkali-doped cyclo[2n]carbon, M3O@C2n (M = Li, Na, and K, n = 5-10)
9天前
已完结
DFT-based insights into novel Ga6N6 nanoring for pollutant gas adsorption: energetics and electronic modulations
10天前
已完结
Exploring the Aromaticity Differences of Isoelectronic Species of Cyclo[18]carbon (C18), B6C6N6, and B9N9: The Role of Carbon Atoms as Connecting Bridges
13天前
已完结
Achieving excellent optical molecules by screening superalkali-doped cyclo[2n]carbon, M3O@C2n (M = Li, Na, and K, n = 5-10)
13天前
已完结
Computational design and molecular modeling of the interaction of nicotinic acid hydrazide nickel-based complexes with H2S gas
19天前
已完结
皖公网安备34019202002308
