Asst Prof Tej Salil CHOKSI

Principal Investigator

Asst Prof Tej Choksi received his Bachelors in Chemical Engineering from the Institute of Chemical Technology, Mumbai, India in 2012. He then obtained his PhD in Chemical Engineering from Purdue University, West Lafayette in December 2017. His dissertation research, under the guidance of Professor Jeffrey Greeley, focused on first principles studies of reducible oxides and metal/oxide interfacial catalysts. He then obtained postdoctoral research experience at Stanford University at the SUNCAT Centre for Interface Science and Catalysts under the supervision of Dr. Frank Abild-Pedersen. During his postdoc, he helped develop the alloy stability model, a unified framework for determining the stability and reactivity of alloy nanoparticles with active site precision. He started his independent scientific career in December 2019.

Singapore - NTU


C4T extended projects

Research Interest

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Key Publications

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049.

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848