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Hung M. Le

Researcher at Washington State University

Publications -  52
Citations -  1015

Hung M. Le is an academic researcher from Washington State University. The author has contributed to research in topics: Ab initio & Potential energy surface. The author has an hindex of 17, co-authored 51 publications receiving 763 citations. Previous affiliations of Hung M. Le include Oklahoma State University–Stillwater & Harvard University.

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Insight into the adsorption mechanisms of methylene blue and chromium(iii) from aqueous solution onto pomelo fruit peel

TL;DR: In this article, the authors investigated the biosorption mechanisms of methylene blue (MB) and Cr(III) onto pomelo peel collected from local fruits by combining experimental analysis with ab initio simulations.
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A first-principles investigation of various gas (CO, H2O, NO, and O2) absorptions on a WS2 monolayer: stability and electronic properties

TL;DR: First-principles calculations investigate the interactions between a WS2 monolayer and several gas molecules (CO, H2O, NO, and O2) and establish good consistency with each other in terms of absorption stability and band gap estimations.
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Anion–Cation Double Substitution in Transition Metal Dichalcogenide to Accelerate Water Dissociation Kinetic for Electrocatalysis

TL;DR: In this article, a 3D mesoporous cubic pyrite-metal Co1-xVxSP was proposed to improve the hydrogen evolution reaction (HER) performance.
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Molecular dissociation of hydrogen peroxide (HOOH) on a neural network ab initio potential surface with a new configuration sampling method involving gradient fitting

TL;DR: The O-O bond dissociation of HOOH is investigated on an analytic ab initio potential-energy surface obtained by fitting the energies of 25,608 configurations using neural network (NN) methods and the effectiveness of the support vector machine (SVM) method in fitting large abinitio databases for MD calculations is investigated.