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Leveraging machine learning potentials for in-situ searching of active sites in heterogeneous catalysis

• Authors : Cheng, Xiran; Wu, Chenyu; Xu, Jiayan

Subjects: Leveraging machine; Leveraging machine learning potentials; MLPs

• Source: Cheng , X , Wu , C , Xu , J , Han , Y , Xie , W & Hu , P 2024 , ' Leveraging machine learning potentials for in-situ searching of active sites in heterogeneous

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Quantitative evidence to challenge the traditional model in heterogeneous catalysis: kinetic modeling for ethane dehydrogenation over Fe/SAPO-34

• Authors : Chen, Peng; Liu, Ying; Xu, Yarong

• Source: Chen , P , Liu , Y , Xu , Y , Guo , C & Hu , P 2023 , ' Quantitative evidence to challenge the traditional model in heterogeneous

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Achieving theory-experiment parity for activity and selectivity in heterogeneous catalysis using microkinetic modeling

• Authors : Xie, Wenbo; Xu, Jiayan; Chen, Jianfu

• Source: Xie , W , Xu , J , Chen , J , Wang , H & Hu , P 2022 , ' Achieving theory-experiment parity for activity and selectivity in heterogeneous

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Discovery of a New Solvent Co-Catalyzed Mechanism in Heterogeneous Catalysis: A First-Principles Study with Molecular Dynamics on Acetaldehyde Hydrogenation on Birnessite

• Authors : Xie, Wenbo; Reid, Glenn; Hu, P.

• Source: Xie , W , Reid , G & Hu , P 2022 , ' Discovery of a New Solvent Co-Catalyzed Mechanism in Heterogeneous Catalysis: A First-Principles

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Understanding the Optimal Adsorption Energies for Catalyst Screening in Heterogeneous Catalysis

• Authors : Yang, Bo; Burch, Robbie; Hardacre, Christopher

Subjects: heterogeneous catalysis; Bronsted-Evans-Polanyi relation; volcano curve

• Source: Yang , B , Burch , R , Hardacre , C , Headdock , G & Hu , P 2014 , ' Understanding the Optimal Adsorption Energies for Catalyst Screening in Heterogeneous

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An integrated total neutron scattering - NMR approach for the study of heterogeneous catalysis

• Authors : Leutzsch, Markus; Falkowska, Marta; Hughes, Terri-Louise

• Source: Leutzsch , M , Falkowska , M , Hughes , T-L , Sederman , A J , Gladden , L F , Mantle , M D , Youngs , T G A , Bowron , D , Manyar , H & Hardacre , C 2018 , ' An integrated total neutron scattering -

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Theory of the Kinetics of Chemical Potentials in Heterogeneous Catalysis

• Authors : Cheng, Jun; Hu, P.

Subjects: /dk/atira/pure/subjectarea/asjc/1600/1600; name=General Chemistry; /dk/atira/pure/subjectarea/asjc/1500/1503

• Source: Cheng , J & Hu , P 2011 , ' Theory of the Kinetics of Chemical Potentials in Heterogeneous Catalysis ' , Angewandte Chemie International

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Confinement Effects on the Benzene Orientational Structure

• Authors : Falkowska, Marta; Bowron, Daniel T.; Manyar, Haresh

Subjects: arenes; heterogeneous catalysis; liquids

• Source: Falkowska , M , Bowron , D T , Manyar , H , Youngs , T G A & Hardacre , C 2018 , ' Confinement Effects on the Benzene Orientational Structure ' , Angewandte Chemie - International Edition , vol. 57 ,

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One-Step Reforming of CO 2 and CH 4 into High-Value Liquid Chemicals and Fuels at Room Temperature by Plasma-Driven Catalysis

• Authors : Wang, Li; Yi, Yanhui; Wu, Chunfei

Subjects: carbon dioxide; heterogeneous catalysis; methane

• Source: Wang , L , Yi , Y , Wu , C , Guo , H & Tu , X 2017 , ' One-Step Reforming of CO 2 and CH 4 into High-Value Liquid Chemicals and Fuels at Room Temperature by Plasma-Driven

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Origin of Low CO 2 Selectivity on Platinum in the Direct Ethanol Fuel Cell

• Authors : Kavanagh, Richard; Cao, Xiao-Ming; Lin, Wen-Feng

Subjects: density functional calculations; electrochemistry; fuel cells

• Source: Kavanagh , R , Cao , X-M , Lin , W-F , Hardacre , C & Hu , P 2012 , ' Origin of Low CO 2 Selectivity on Platinum in the Direct Ethanol Fuel Cell ' , Angewandte Chemie International Edition , vol. 51 ,

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