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1 Mechanistic Insights into the Effect of Sulfur on the Selectivity of Cobalt-Catalyzed Fischer–Tropsch Synthesis: A DFT Study [期刊论文]

来源：Catalysts , 2022

作者:Yagmur Daga, Ali Can Kizilkaya

关键词:sulfur;cobalt;...

使用许可:Unknown

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2 Uncovering the Mechanism of the Hydrogen Poisoning on Ru Nanoparticles via Density Functional Theory Calculations [期刊论文]

来源：Catalysts , 2022

作者:David S. Rivera Rocabado;Mika Aizawa;Takayoshi Ishimoto;等

关键词:hydrogen poisoning;Ru nanoparticle;...

使用许可:Unknown

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3 Density Functional Theory Study on the Influence of Cation and Anion Elements Doping on the Surface of Ti3C2 on the Adsorption Performance of Formaldehyde [期刊论文]

来源：Catalysts , 12卷 387 , 2022

作者:Mengshan Chen;Zhouhao Zhu;Qianyu Guo;等

关键词:Ti3C2;adsorption;...

使用许可:Unknown

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4 Understanding the Catalytic Activity of Microporous and Mesoporous Zeolites in Cracking by Experiments and Simulations [期刊论文]

来源：Catalysts , 2021

作者:Shih-Cheng Li, Yi-Pei Li, Yen-Chun Lin

关键词:mesoporous materials;zeolite;...

使用许可:Unknown

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5 Theoretical Study on Electronic Structural Properties of Catalytically Reactive Metalloporphyrin Intermediates [期刊论文]

来源：Catalysts , 2020

作者:Ruping Liu;Yonggang Yang;Luhai Li;等

关键词:density functional theory;porphyrin intermediates;...

使用许可:Unknown

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6 Manipulatable Interface Electric Field and Charge Transfer in a 2D/2D Heterojunction Photocatalyst via Oxygen Intercalation [期刊论文]

来源：Catalysts , 2020

作者:Yong-Chae Chung;Jungwook Woo;EunSeob Sim;等

关键词:density functional theory;photocatalytic water splitting;...

使用许可:Unknown

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