Lv7140
3370 积分 2023-08-29 加入
The rational co-doping strategy of transition metal and non-metal atoms on g-CN for highly efficient hydrogen evolution by DFT and machine learning
1个月前
已完结
Quasicrystal bulk and surface energies from density functional theory
1个月前
已完结
Effects of Bending on Nucleation and Injection of Oxygen Vacancies into the Bulk Lattice of Li‐Rich Layered Cathodes
1个月前
已完结
Verification of stability and unraveling the electronic and physical properties of bulk and (001)-surfaces of newly synthesized Ti2ZnX (X = C, N) MAX phases
1个月前
已完结
Structure, half-metallic and magnetic properties of bulk and (001) surface of Rb2XMoO6 (X = Cr, Sc) double perovskites: a DFT + U study
1个月前
已关闭
First-principles calculations of bulk, surface and interfacial phases and properties of silicon graphite composites as anode materials for lithium ion batteries
1个月前
已完结
Constructing High-Loading Single-Atom/Cluster Catalysts via an Electrochemical Potential Window Strategy
1个月前
已完结
Metal Affinity of Support Dictates Sintering of Gold Catalysts
1个月前
已完结
Electrochemical Potential-Driven Shift of Frontier Orbitals in M–N–C Single-Atom Catalysts Leading to Inverted Adsorption Energies
1个月前
已完结
Theoretical calculation of hydrogen evolution reaction in two-dimensional As2X3(X=S, Se, Te) doped with transition metal atoms
3个月前
已完结
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