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730 积分 2025-06-17 加入
CO2 capture, separation and reduction on boron-doped MoS2, MoSe2 and heterostructures with different doping densities: A theoretical study
11天前
已完结
Nitrogen doped MoS2 and nitrogen doped carbon dots composite catalyst for electroreduction CO2 to CO with high Faradaic efficiency
11天前
已完结
Theoretical study of adsorption of gas (CO, CO2, NH3) by metal (Au, Ag, Cu)-doped single-layer WS2
12天前
已完结
Energetic and electronic properties of NH3, NO2 and SO2 interacting with GaN nanotube: a DFT study
12天前
已完结
Stabilized single-atom catalysts on 2D supports for CO₂-to-liquid fuel conversion: beyond conventional DFT insights via stability-selectivity descriptor mapping
12天前
已完结
The adsorption of NO, NH3, N2 on carbon surface: a density functional theory study
12天前
已完结
Tuning hydrogen dissociation on Zn12O12 nanocages via first-row transition metal encapsulation: DFT insights for hydrogen storage
12天前
已完结
Harnessing charge transfer model to design high-entropy oxide catalysts for Ammonia decomposition
20天前
已完结
Revealing the potential of graphene and g-C3N4 as cathode electrocatalysts for Li-O2/CO2 batteries: Insights from DFT calculations
21天前
已完结
Reactive molecular dynamics study of the initial reaction mechanisms of ammonium perchlorate clusters under low-pressure water jet impact
21天前
已完结