Lv5
1224 积分 2024-11-06 加入
Mn/al/Ce ternary-doped CaO composites for ultra-stable and solar-enhanced calcium looping thermochemical energy storage: Synergistic effects and atomic-level insights
10小时前
已完结
The adsorption characteristics of As2O3, Pb0, PbO and PbCl2 on single atom iron adsorbent with graphene-based substrates
7天前
已关闭
A DFT study of toxic gases (NH3, C2H2, NO) adsorption and detection on metal oxides (CuO, Ag2O, In2O3) modified MoTe2 monolayer
7天前
已完结
On-the-fly kinetic Monte Carlo simulations with neural network potentials for surface diffusion and reaction
11天前
已完结
Molecular simulations of multivariate competitive adsorption of CH4, CO2 and H2O in gas-fat coal
22天前
已完结
Molecular simulation on competitive adsorption of ethanol, acetaldehyde and acetic acid on zeolites in humid conditions
22天前
已完结
Hydrothermal pretreatment of lignin-derived activated carbon for enhanced competitive adsorption of benzene and NO: Mechanistic insights from DFT simulations
22天前
已完结
Kinetics of Aqueous Media Reactions via Ab Initio Enhanced Molecular Dynamics: The Case of Urea Decomposition
23天前
已完结
Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science
23天前
已完结
General reactive element-based machine learning potentials for heterogeneous catalysis
26天前
已完结
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