Michel Dupuis - Dissemin

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All papers authored by Michel Dupuis

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2024 Lili Rassouli

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, Michel Dupuis

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Electronic Structure of Excitons in Hematite Fe₂O₃

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2023 Yang Liu, Xiaoyu Wang

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, Xuyan Ma, Can Li

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, Michel Dupuis

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DFT Electronic Structure and Vibrational Signatures of Intermediates in Water Oxidation on Perovskite NaTaO₃

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Xiurui An, Ting-Ting Yao

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, Yang Liu, Guifa Long, Aoqi Wang, Zhendong Feng, Michel Dupuis

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, Can Li

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Hydrogen Evolution Reaction on Single-Atom Pt Doped in Ni Matrix under Strong Alkaline Condition

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2020 Taifeng Liu

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, Mengsi Cui, Michel Dupuis

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Hole Polaron Transport in Bismuth Vanadate BiVO4 from Hybrid Density Functional Theory

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Anum Shahid Malik, Taifeng Liu

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, Michel Dupuis

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, Can Li

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Water Oxidation on TiO2: A Comparative DFT Study of 1e–, 2e–, and 4e– Processes on Rutile, Anatase, and Brookite

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Caitlin Horvatits, Dan Li, Michel Dupuis

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, Eleni A. Kyriakidou

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, Eric A. Walker

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Ethylene and Water Co-Adsorption on Ag/SSZ-13 Zeolites: A Theoretical Study

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Qian Ding

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, Yang Liu

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, Tao Chen, Xiaoyu Wang

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, Michel Dupuis

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, Can Li

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Unravelling the water oxidation mechanism on NaTaO3-based photocatalysts

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Wenjun Fan, Bingqing Zhang, Xiaoyu Wang, Weiguang Ma

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, Deng Li, Zhiliang Wang

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, Michel Dupuis

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, Can Li

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Efficient hydrogen peroxide synthesis by metal-free polyterthiophene via photoelectrocatalytic dioxygen reduction

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Pavan Kumar Behara

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, Michel Dupuis

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Electron transfer in extended systems: characterization by periodic density functional theory including the electronic coupling

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2019 Taifeng Liu

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, Qianyu Zhao, Can Li

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, Yang Lyu, Michel Dupuis

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Photocatalytic Facet Selectivity in BiVO4 Nanoparticles: Polaron Electronic Structure and Thermodynamic Stability Considerations for Photocatalysis

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Viswanath Pasumarthi

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, Michel Dupuis

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, Can Li

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Charge carrier transport dynamics in W/Mo-doped BiVO4: first principles-based mesoscale characterization

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2018 Yang Liu

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, Hanguang Zhang, Pavan Kumar Behara, Xiaoyu Wang, Dewei Zhu, Shuo Ding, Sai Prasad Ganesh, Michel Dupuis

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, Gang Wu

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, Mark T. Swihart

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Synthesis and Anisotropic Electrocatalytic Activity of Covellite Nanoplatelets with Fixed Thickness and Tunable Diameter

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Taifeng Liu

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, Zhaochi Feng, Qiuye Li, Jianjun Yang

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, Can Li

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, Michel Dupuis

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Role of Oxygen Vacancies on Oxygen Evolution Reaction Activity: β-Ga2O3 as a Case Study

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Michel Dupuis

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, Meghana Nallapu

Maximal orbital analysis of molecular wavefunctions

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Taifeng Liu

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, Viswanath Pasumarthi

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, Christine LaPorte

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, Zhaochi Feng, Qiuye Li

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, Jianjun Yang, Can Li

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, Michel Dupuis

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Bimodal hole transport in bulk BiVO4 from computation

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