Combined Adsorption and Reaction in the Ternary Mixture N2, N2O4, NO2 on MIL-127 Examined by Computer Simulations

• Siegfried Fritzsche,
• Tatiya Chokbunpiam,
• Jürgen Caro,
• Supot Hannongbua,
• Wolfhard Janke,
• Tawun Remsungnen

Affiliations

Siegfried Fritzsche

Institute of Theoretical Physics, Faculty of Physics and Geosciences, Leipzig University, Leipzig, Germany

Tatiya Chokbunpiam

Department of Chemistry and Center of Excellence for Innovation in Chemistry Faculty of Science, Ramkhamhaeng University, Bangkok, Thailand

Jürgen Caro

Institute of Physical Chemistry and Electrochemistry, Leibniz University Hannover, Hannover, Germany

Supot Hannongbua

Computational Chemistry Unit Cell (CCUC), Department of Chemistry, Faculty of Science, Chulalongkorn University, Bangkok, Thailand

Wolfhard Janke

Institute of Theoretical Physics, Faculty of Physics and Geosciences, Leipzig University, Leipzig, Germany

Tawun Remsungnen

Integrated Research Group for Energy and Environment, Faculty of Applied Science and Engineering, Khon Kaen University, Nong Khai, Thailand