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Hari Thirumalai
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Investigating the reactivity of single atom alloys using density functional theory
H Thirumalai, JR Kitchin
Topics in Catalysis 61, 462-474, 2018
1572018
Effects of Catalyst Phase on the Hydrogen Evolution Reaction of Water Splitting: Preparation of Phase-Pure Films of FeP, Fe2P, and Fe3P and Their Relative …
DE Schipper, Z Zhao, H Thirumalai, AP Leitner, SL Donaldson, A Kumar, ...
Chemistry of Materials 30 (10), 3588-3598, 2018
1462018
Bifunctional metal phosphide FeMnP films from single source metal organic chemical vapor deposition for efficient overall water splitting
Z Zhao, DE Schipper, AP Leitner, H Thirumalai, JH Chen, L Xie, F Qin, ...
Nano Energy 39, 444-453, 2017
1262017
Ethylene dehydroaromatization over Ga‐ZSM‐5 catalysts: nature and role of gallium speciation
Y Zhou, H Thirumalai, SK Smith, KH Whitmire, J Liu, AI Frenkel, ...
Angewandte Chemie International Edition 59 (44), 19592-19601, 2020
612020
Silver‐Promoted Dehydroaromatization of Ethylene over ZSM‐5 Catalysts
MF Hsieh, Y Zhou, H Thirumalai, LC Grabow, JD Rimer
ChemCatChem 9 (9), 1675-1682, 2017
442017
The role of vdW interactions in coverage dependent adsorption energies of atomic adsorbates on Pt (111) and Pd (111)
H Thirumalai, JR Kitchin
Surface Science 650, 196-202, 2016
72016
Quantification and Statistical Analysis of Errors Related to the Approximate Description of Active Site Models in Metal‐Exchanged Zeolites
H Thirumalai, JD Rimer, LC Grabow
ChemCatChem 11 (20), 5055-5067, 2019
42019
Nature of Active Sites for Passive NOx Adsorption on Pd-SSZ-13
BM Rahman, U Menon, A Gupta, T Salavati-fard, H Thirumalai, M Harold, ...
2019 AIChE Annual Meeting, 2019
2019
Insights into the Dehydroaromatization of Ethylene over Ag-ZSM-5 Catalysts Using Transient Kinetics Techniques and Density Functional Theory
H Thirumalai, Y Zhou, U Menon, J Rimer, L Grabow
2019 AIChE Annual Meeting, 2019
2019
A Temporal Analysis of Products (TAP) Study of Passive NOx Adsorption (PNA) on 1% Pd/SSZ-13
U Menon, H Thirumalai, BM Rahman, A Gupta, M Harold, L Grabow
2019 AIChE Annual Meeting, 2019
2019
A Temporal Analysis of Products (TAP) Study of Passive NOx Adsorption (PNA) on 1% Pd/SSZ-13 Catalyst
U Menon, BMM Rahman, T Salavati-fard, H Thirumalai, MP Harold, ...
2019 North American Catalysis Society Meeting, 2019
2019
Dehydroaromatization of Ethylene over Bifunctional Lewis/Brønsted Acid Sites in Ag-ZSM-5
H Thirumalai, Y Zhou, U Menon, JD Rimer, LC Grabow
2019 North American Catalysis Society Meeting, 2019
2019
Metal-Promoted Dehydroaromatization of Ethylene over ZSM-5 Catalysts
Y Zhou, MF Hsieh, H Thirumalai, L Grabow, J Rimer
2018 AIChE Annual Meeting, 2018
2018
A Screening Study of Methane Activation over Metal Exchanged Zeolites
H Thirumalai, LC Grabow
25th North American Catalysis Society Meeting, 2017
2017
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Articles 1–14