De-en Jiang
Professor of Chemical and Biomolecular Engineering
Professor of Chemistry
My group's research focuses on computational chemical science and materials, with a long-term goal to achieve data-driven design of functional materials and molecules for a sustainable society. Current projects include computational nanocatalysis for CO2 conversion, molecular simulations of chemical separations for carbon capture and critical materials, materials design for advanced batteries and organic-inorganic interfaces, and data-driven machine learning discovery of functional ligands and materials.
Specializations
Physical, theoretical, computational, materials, energy
Representative Publications
https://scholar.google.com/citations?user=BR4f0JYAAAAJ
1. Tong, Y.; Liu, H.; Dai, S.; Jiang, D. E.* Monolayer Fullerene Membranes for Hydrogen Separation. Nano Letters 2023, 23, 7470–7476.
2. Li, G.; Han, G.; Wang, L.; Cui, X.; Moehring, N. K.; Kidambi, P. R.; Jiang, D.-e.*; Sun, Y.* Dual hydrogen production from electrocatalytic water reduction coupled with formaldehyde oxidation via a copper-silver electrocatalyst. Nature Communications 2023, 14, 525.
3. Wang, S.; Wu, Z.; Dai, S.; Jiang, D. E.* Deep Learning Accelerated Determination of Hydride Locations in Metal Nanoclusters, Angew. Chem. Int. Ed., 2021, 60, 12289-12292.
4. Liu, K.*; Gao, X.-M.; Liu, T.; Hu, M.-L.*; Jiang, D. E.* All-Carboxylate-Protected Superatomic Silver Nanocluster with an Unprecedented Rhombohedral Ag8 Core. J. Am. Chem. Soc., 2020, 142, 16905–16909.
5. Zhou, M.; Higaki, T.; Hu, G.; Sfeir, M. Y.; Chen, Y.; Jiang, D. E.*; Jin, R.* “Three-orders-of-magnitude variation of carrier lifetimes with crystal phase of gold nanoclusters”, Science, 2019, 364, 279-282.