Mechanism of Sulfur Poisoning of Sr2Fe1.5Mo0.5O6 Perovskite Anode under Solid Oxide Fuel Cell Conditions, Eric Walker, Salai Cheettu Ammal, Suwit Suthirakun, Fanglin Chen, Gabriel A. Terejanu, Andreas Heyden
Faculty Publications

Theoretical Investigation of H₂ Oxidation on the Sr₂Fe_1.5Mo_0.5O₆ (001) Perovskite Surface under Anodic Solid Oxide Fuel Cell Conditions, S. Suthirakun, Salai Cheettu Ammal, A. B. Muñoz-García, G. Xiao, Fanglin Chen, Hans-Conrad zur Loye, E. A. Carter, Andreas Heyden
Faculty Publications

On the Importance of Metal–Oxide Interface Sites for the Water–Gas Shift Reaction over Pt/CeO2 Catalysts, S. Aranifard, Salai Cheettu Ammal, Andreas Heyden
Faculty Publications

Rational Design of Mixed Ionic and Electronic Conducting Perovskite Oxides for Solid Oxide Fuel Cell Anode Materials: A Case Study for Doped SrTiO3, S. Suthirakun, G. Xiao, Salai Cheettu Ammal, Fanglin Chen, Hans-Conrad zur Loye, Andreas Heyden
Faculty Publications

Origin of the Unique Activity of Pt/TiO2 Catalysts for the Water–Gas Shift Reaction, Salai Cheettu Ammal, Andreas Heyden
Faculty Publications

Nature of Ptn/CeO2 (111) Interface under Water-Gas Shift Reaction Conditions: A Constrained ab Initio Thermodynamics Study, Sara Aranifard, Salai Cheettu Ammal, Andreas Heyden
Faculty Publications

Obtaining Mixed Ionic/Electronic Conductivity in Perovskite Oxides in a Reducing Environment: A Computational Prediction for Doped SrTiO3, S. Suthirakun, Salai Cheettu Ammal, G. Xiao, Fanglin Chen, Kevin Huang, Hans-Conrad zur Loye, Andreas Heyden
Faculty Publications

Density functional theory study on the electronic structure of n- and p-type doped SrTiO₃ at anodic solid oxide fuel cell conditions, S. Suthirakun, Salai Cheettu Ammal, G. Xiao, Fanglin Chen, Hans-Conrad zur Loye, Andreas Heyden
Faculty Publications

Synergistic Dimetallic Effects in Propargylic Substitution Reaction Catalyzed by Thiolate-Bridged Diruthenium Complex, Salai Cheettu Ammal, N. Yoshikai, Y. Inada, Y. Nishibayashi, E. Nakamura
Faculty Publications

L-Shaped Three-Center Two-Electron (C−C−C)+ Bonding Array, N. Yoshikai, Salai Cheettu Ammal, E. Nakamura
Faculty Publications

Dynamics-Driven Reaction Pathway in an Intramolecular Rearrangement, Salai Cheettu Ammal, H. Yamataka, M. Aida, M. Dupuis
Faculty Publications

Combinatorial Computational Chemistry Approach to the Design of Metal Oxide Electronics Materials, B. Rodion, Salai Cheettu Ammal, Y. Inaba, Y. Oumi, S. Takami, M. Kubo, A. Miyamoto, M. Kawasaki, M. Yoshimoto, H. Koinuma
Faculty Publications

Integrated Computational Chemistry System for Catalysts Design, Salai Cheettu Ammal, S. Takami, M. Kubo, A. Miyamoto
Faculty Publications