Lv11
20 积分 2024-11-21 加入
Role of Surface Defects in the Activation of Supported Metals: A Quantum-Chemical Study of Acetylene Cyclotrimerization on Pd1/MgO
2小时前
待确认
Geometric structure and chemical bonding of acetylene adsorbed on Cu(110)
2小时前
已完结
Theoretical study of oxygen adsorption energy on supported metal cluster using d-band center theory and HSAB concept
1个月前
已完结
Advances in computational approaches for bridging theory and experiments in electrocatalyst design
1个月前
已完结
d-Band Center Regulated O2 Adsorption on Transition Metal Single Atoms Loaded COF: A DFT Study
1个月前
已完结
Enhancement of gas adsorption on transition metal ion–modified graphene using DFT calculations
2个月前
已完结
First-principles study of defect energetics and magnetic properties of Cr, Ru and Rh doped AlN
2个月前
已完结
Co-adsorption NO and organic molecules on Cu+ sites in zeolites: Quantum chemical DFT calculations
2个月前
已完结
Adsorption of Nitrogen-Containing Toxic Gases on Transition Metal (Pt, Ag, Au)-Modified Janus ZrSSe Monolayers for Sensing Applications: A DFT Study
4个月前
已完结
A DFT-based study of As2O3 adsorption using single and bimetallic atom-doped g-C3N4
4个月前
已完结
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