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De en Jiang

De en Jiang

H. Eugene McBrayer Chair in Chemical Engineering
Associate Chair, Department of Chemical and Biomolecular Engineering
Professor of Chemical and Biomolecular Engineering
Professor of Chemistry
206E Olin Hall
615-343-3531
Email

Overview

The Jiang Group’s research focuses on computational chemical science and materials, with a long-term goal to achieve data-driven design of functional molecules and materials for a sustainable society. Current research topics include the follow areas: (i) computational nanocatalysis by nanoclusters, single atoms, oxides, zeolites, 2D materials, and high-entropy materials; (ii) simulations of molecular and ionic separations via membranes, sorbents, composite systems, and ionic liquids for carbon capture and rare-earth separations; (iii) first principles understanding of electrical energy storage, electrode materials, and electrolytes in anion-storage batteries; (iv) modeling surface chemistry of MXenes.

Awards

-Highly Cited Researcher by Clarivate, 2023
-Fellow of the American Association for the Advancement of Science (AAAS), 2021
-Kavli Fellow, National Academy of Sciences, 2012
-Presidential Early Career Awards for Scientists and Engineers (PECASE), 2010
-DOE Office of Science Early Career Scientist and Engineer Award, 2009

Selected Publications

Dynamic Monkey Bar Mechanism of Superionic Li-ion Transport in LiTaCl6. Lei M, Li B, Liu H. Jiang D-e, Angewandte Chemie International Edition, 63, e202315628, (2024) View Abstract

Monolayer Fullerene Membranes for Hydrogen Separation. Tong Y, Liu H, Dai S, Jiang D-e, Nano Letters, 23, , (2023) View Abstract

Deep Learning Accelerated Determination of Hydride Locations in Metal Nanoclusters. Wang S, Wu Z, Dai S, Jiang D-e, Angewandte International Edition Chemie, 60, 12289-12292, (2021) View Abstract

All-Carboxylate-Protected Superatomic Silver Nanocluster with an Unprecedented Rhombohedral Ag8 Core. Liu KG, Gao XM, Liu T, Hu ML, Jiang D-e, Journal of the American Chemical Society, 142, 16905–16909, (2020) View Abstract

Three-orders-of-magnitude variation of carrier lifetimes with crystal phase of gold nanoclusters. Zhou M, Higaki T, Hu G, Sfeir MY, Chen Y, Jiang D-e, Jin R, Science, 364, 279-282, (2019) View Abstract