DFT investigation into efficient transition metal single-atom catalysts supported on N-doped graphene for nitrate reduction reactions

DY Shin, DH Lim*

Chemical Engineering Journal 468, 143466 (2023)

(IF: 15.1 / JCR Top 3.2%)

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One-step synthesis of zinc oxide-carbon microspheres decorated with multi-voids and carbon nanotubes via spray pyrolysis for enhanced stability in lithium metal anodes

YB Kim, HY Seo, TG Senthamaraikannan, JS Cho, YC Kang, DH Lim*, GD Park*

Journal of Materials Science & Technology (2024)

(IF: 10.9 / JCR Top 1.9%)

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Surface hydroxyl group-enriched nickel cobalt molybdate hydrate for improved oxygen evolution activity in an anion exchange membrane water electrolyzer

A Karmakar, TG Senthamaraikannan, E Baasanjav, P Bandyopadhyay, B Jin, YS Park*, DH Lim*, SM Jeong*

Applied Catalysis B: Environmental 328, 122504 (2023)

(IF: 22.1 / JCR Top 0.9%)

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DFT approach for predicting the pH-potential-dependent durabilities of Pt-skinned Pt-M (M= Ni, Co, and Ir) alloys for fuel cell cathodes

DY Shin, DH Lim*

Applied Surface Science 616, 156449 (2023)

(IF: 6.7 / JCR Top 2.4%)

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Density functional theory–based design of a Pt-skinned PtNi catalyst for the oxygen reduction reaction in fuel cells

DY Shin, YJ Shin, MS Kim, JA Kwon, DH Lim*

Applied Surface Science 565, 150518 (2021)

(IF: 6.7 / JCR Top 2.4%)

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Competitive adsorption between phosphate and arsenic in soil containing iron sulfide: XAS experiment and DFT calculation approaches

YS Han, JH Park, Y Min, DH Lim*

Chemical Engineering Journal 397, 125426 (2020)

(IF: 15.1 / JCR Top 3.2%)

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Enhanced oxidation resistance of NaBH4-treated mackinawite (FeS): Application to Cr (VI) and As (III) removal

YS Han, CM Lee, CM Chon, JA Kwon, JH Park, YJ Shin, DH Lim*

Chemical Engineering Journal 353, 890-899 (2018)

(IF: 15.1 / JCR Top 3.2%)

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Fundamental mechanisms of reversible dehydrogenation of formate on N-doped graphene-supported Pd nanoparticles

DY Shin, MS Kim, JA Kwon, YJ Shin, CW Yoon, DH Lim*

The Journal of Physical Chemistry C 123 (3), 1539-1549 (2018)

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Carbon dioxide conversion into hydrocarbon fuels on defective graphene-supported Cu nanoparticles from first principles

DH Lim*, JH Jo, DY Shin, J Wilcox, HC Ham, SW Nam

Nanoscale 6 (10), 5087-5092 (2014)

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Heterogeneous mercury oxidation on Au (111) from first principles

DH Lim, J Wilcox*

Environmental science & technology 47 (15), 8515-8522 (2013)

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Investigation of adsorption behavior of mercury on Au (111) from first principles

DH Lim, S Aboud, J Wilcox*

Environmental science & technology 46 (13), 7260-7266 (2012)

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Mechanisms of the oxygen reduction reaction on defective graphene-supported Pt nanoparticles from first-principles

DH Lim, J Wilcox*

The Journal of Physical Chemistry C 116 (5), 3653-3660 (2012)

(Citation: 370)

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DFT-based study on oxygen adsorption on defective graphene-supported Pt nanoparticles

DH Lim, J Wilcox*

The Journal of Physical Chemistry C 115 (46), 22742-22747 (2011)

(Citation: 229)

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DFT studies on the interaction of defective graphene-supported Fe and Al nanoparticles

DH Lim, AS Negreira, J Wilcox*

The Journal of Physical Chemistry C 115 (18), 8961-8970 (2011)

(Citation: 205)

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Density functional theory studies on the relative reactivity of chloroethenes on zerovalent iron

DH Lim, CM Lastoskie*

Environmental science & technology 43 (14), 5443-5448 (2009)

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Density functional theory studies of chloroethene adsorption on zerovalent iron

DH Lim, CM Lastoskie*, A Soon, U Becker

Environmental science & technology 43 (4), 1192-1198 (2009)

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