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42 积分 2025-11-11 加入
Density Functional Theory Study of Arsenic Adsorption on the Fe2O3 (001) Surface
18小时前
已完结
Study of the enhancement of mechanochemical modification on fly ash for CO2 mineralization and inhibiting characteristics for coal spontaneous combustion
1个月前
已关闭
Unraveling the Role of CeO 2 Facets in Regulating the Dispersion, Stability, and Activity of Cu Sub-Nanometer Clusters for Water−Gas Shift Reaction
1个月前
已完结
A Comprehensive Theoretical Study of the Mechanism for Dry Reforming of Methane on a Ni4/ZrO2(101) Catalyst Under External Electric Fields: The Role of Interface and Oxygen Vacancy
1个月前
已完结
Acetylene Semihydrogenation over Pd–Bi Intermetallic Compounds: A DFT Combined with Microkinetic Modeling Study
1个月前
已完结
Structure Sensitivity of the Water–Gas Shift Reaction over Cu/CeO2: A Combination of DFT, MF-MKM, and kMC
1个月前
已完结
First-principles based microkinetic modeling of transient kinetics of CO hydrogenation on cobalt catalysts
1个月前
已完结
A First-Principles Study and Microkinetic Simulation of Ammonia Decomposition on CoIrNiRhRu High-Entropy Alloy Surfaces
2个月前
已完结
Microkinetic modeling for heterogeneous catalysis: methods and illustrative applications
2个月前
已完结
Theoretical insight into the interaction mechanism between V2O5/TiO2 (0 0 1) surface and arsenic oxides in flue gas
2个月前
已完结
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