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10 积分 2022-12-19 加入
A Perspective on Multiscale Modeling of Explicit Solvation-Enabled Simulations of Catalysis at Liquid–Solid Interfaces
1天前
已完结
Unravelling the Effects of an Iodine Vacancy and a Dipolar Molecular Stabilizer on Hot-Electron Recombination of Metal Halide Perovskites
2个月前
已完结
Exploring hot carrier relaxation dynamics in MoSi2N4 monolayer for photocatalytic applications: Insights into electron-phonon coupling mechanisms
2个月前
已完结
Theoretical Insights into H2 Activation over Anatase TiO2 Supported Metal Adatoms
7个月前
已完结
Real-Time Ab Initio Investigation on Hot Electron Relaxation Dynamics in Silicon
7个月前
已完结
A DFT Study on the Role of Oxygen Vacancy on m-ZrO2 (1¯11) in Adsorption and Dissociation of CO2
1年前
已完结
Direct conversion of CO and H2O to hydrocarbons at atmospheric pressure using a TiO2−x/Ni photothermal catalyst
1年前
已完结
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
1年前
已完结
Theory of Nonadiabatic Electron Dynamics in Nanomaterials
1年前
已完结
On the genesis of heterogeneous photocatalysis: a brief historical perspective in the period 1910 to the mid-1980s
1年前
已完结
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