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32 积分 2024-03-04 加入
Modulation of electric field and charge on BC3N2 monolayers for reversible hydrogen storage with high capacity
1天前
求助中
Two-dimensional CrSe2/GaN heterostructures for visible-light photocatalysis with high utilization of solar energy
20天前
已完结
Heterobimetallic Complexes That Point to When Bond Dissociation Energies Deviate from Computational Expectations
22天前
已完结
Computational Insights into Ru, Pd and Pt fcc Nano-Catalysts from Density Functional Theory Calculations: The Influence of Long-Range Dispersion Corrections
22天前
已完结
DFT investigation of transition metal-doped graphene for the adsorption of HCl gas
25天前
已完结
Heterobimetallic Complexes That Point to When Bond Dissociation Energies Deviate from Computational Expectations
26天前
已完结
Enhancement of gas sensing by doping of transition metal in two-dimensional As2C3 nanosheet: A density functional theory investigation
26天前
已完结
On the hydrogen storage performance of metal-decorated beryllium polynitrides: Ab-initio investigations
26天前
已完结
From chemisorption to physisorption: A synergistic computational screening approach to exploit N-rich covalent organic frameworks for methyl iodide capture
28天前
已完结
Synergy of Mn-Fe-Al and reconstruction of chemisorption & physisorption in arsenic removal
28天前
已完结
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