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2D Covalent Metals: A New Materials Domain of Electrochemical CO2 Conversion with Broken Scaling Relationship Shin, Hyeyoung; Ha, Yoonhoo; Kim, Hyungjun, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.7, no.20, pp.4124 - 4129, 2016-10 |
A combined molecular dynamics/micromechanics/finite element approach for multiscale constitutive modeling of nanocomposites with interface effects Yang, B. J.; Shin, H.; Lee, Haeng-Ki; Kim, Hyungjun, APPLIED PHYSICS LETTERS, v.103, no.24, 2013-12 |
A Conductive Hybridization Matrix of RuO2 Two-Dimensional Nanosheets: A Hybrid-Type Photocatalyst Lee, Jang Mee; Mok, Eun Kyung; Lee, Seul; Lee, Nam-Suk; Debbichi, Lamjed; Kim, Hyungjun; Hwang, Seong-Ju, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.55, no.30, pp.8546 - 8550, 2016-07 |
A critical role of catalyst morphology in low-temperature synthesis of carbon nanotube-transition metal oxide nanocomposite Jin, Xiaoyan; Lim, Joohyun; Ha, Yoonhoo; Kwon, Nam Hee; Shin, Hyeyoung; Kim, In Young; Lee, Nam-Suk; et al, NANOSCALE, v.9, no.34, pp.12416 - 12424, 2017-09 |
A hydro/oxo-phobic top hole-selective layer for efficient and stable colloidal quantum dot solar cells Baek, Se Woong; Lee, Sang Hoon; Song, Jung Hoon; Kim, Changjo; Ha, Ye-Seol; Shin, Hyeyoung; Kim, Hyungjun; et al, ENERGY & ENVIRONMENTAL SCIENCE, v.11, no.8, pp.2078 - 2084, 2018-08 |
A mechanistic model for hydrogen activation, spillover, and its chemical reaction in a zeolite-encapsulated Pt catalyst Shin, Hyeyoung; Choi, Minkee; Kim, Hyungjun, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.18, no.10, pp.7035 - 7041, 2016-03 |
A rational method to kinetically control the rate-determining step to explore efficient electrocatalysts for the oxygen evolution reaction Kwon, Nam Hee; Kim, Minho; Jin, Xiaoyan; Lim, Joohyun; Kim, In Young; Lee, Nam-Suk; Kim, Hyungjun; et al, NPG ASIA MATERIALS, v.10, pp.659 - 669, 2018-07 |
A Seamless Grid-Based Interface for Mean-Field QM/MM Coupled with Efficient Solvation Free Energy Calculations Lim, Hyung Kyu; Lee, Hankyul; Kim, Hyungjun, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.12, no.10, pp.5088 - 5099, 2016-10 |
Achieving Selective and Efficient Electrocatalytic Activity for CO2 Reduction Using Immobilized Silver Nanoparticles Kim, Cheonghee; Jeon, Hyo Sang; Eom, Taedaehyeong; Jee, Michael Shincheon; Kim, Hyungjun; Friend, Cynthia M.; Min, Byoung Koun; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.137, no.43, pp.13844 - 13850, 2015-11 |
Activity Origin and Multifunctionality of Pt-Based Intermetallic Nanostructures for Efficient Electrocatalysis Kim, Ho Young; Kim, Jong Min; Ha, Yoonhoo; Woo, Jinwoo; Byun, Ayoung; Shin, Tae Joo; Park, Kang Hyun; et al, ACS CATALYSIS, v.9, no.12, pp.11242 - 11254, 2019-12 |
An lcy-topology amino acid MOF as eco-friendly catalyst for cyclic carbonate synthesis from CO2: Structure-DFT corroborated study Kathalikkattil, Amal Cherian; Babu, Robin; Roshan, Roshith Kuruppathparambil; Lee, Hankyul; Kim, Hyungjun; Tharun, Jose; Suresh, Eringathodi; et al, JOURNAL OF MATERIALS CHEMISTRY A, v.3, no.45, pp.22636 - 22647, 2015 |
Anisotropic Shock Sensitivity of Cyclotrimethylene Trinitramine (RDX) from Compress-and-Shear Reactive Dynamics An, Qi; Liu, Yi; Zybin, Sergey V.; Kim, Hyungjun; Goddard, William A., III, JOURNAL OF PHYSICAL CHEMISTRY C, v.116, no.18, pp.10198 - 10206, 2012-05 |
Band Gap Engineering of Cs3Bi2I9 Perovskites with Trivalent Atoms Using a Dual Metal Cation Hong, Ki-Ha; Kim, Jongseob; Debbichi, Lamjed; Kim, Hyungjun; Im, Sang Hyuk, JOURNAL OF PHYSICAL CHEMISTRY C, v.121, no.1, pp.969 - 974, 2017-01 |
Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactions Claudot, Julien; Kim, Won June; Dixit, Anant; Kim, Hyungjun; Gould, Tim; Rocca, Dario; Lebegue, Sebastien, JOURNAL OF CHEMICAL PHYSICS, v.148, no.6, 2018-02 |
Bifunctional 2D Superlattice Electrocatalysts of Layered Double Hydroxide-Transition Metal Dichalcogenide Active for Overall Water Splitting Islam, Md Shahinul; Kim, Minho; Jin, Xiaoyan; Oh, Seung Mi; Lee, Nam-Suk; Kim, Hyungjun; Hwang, Seong-Ju, ACS ENERGY LETTERS, v.3, no.4, pp.952 - 960, 2018-04 |
Chemistries for Patterning Robust DNA MicroBarcodes Enable Multiplex Assays of Cytoplasm Proteins from Single Cancer Cells Shin, Young Shik; Ahmad, Habib; Shi, Qihui; Kim, Hyungjun; Pascal, Tod A.; Fan, Rong; Goddard, William A.; et al, CHEMPHYSCHEM, v.11, no.14, pp.3063 - 3069, 2010-10 |
Chiral Arrangement of Achiral Au Nanoparticles by Supramolecular Assembly of Helical Nanofiber Templates Jung, Sung Ho; Jeon, Jiwon; Kim, Hyungjun; Jaworski, Justyn; Jung, Jong Hwa, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.136, no.17, pp.6446 - 6452, 2014-04 |
Chirality control of self-assembled achiral nanofibers using amines in their solid state Jung, Sung Ho; Jeon, Jiwon; Kim, Hyungjun; Jaworski, Justyn; Jung, Jong Hwa, NANOSCALE, v.7, no.37, pp.15238 - 15244, 2015 |
Cluster Expansion Method for Simulating Realistic Size of Nanoparticle Catalysts with an Application in CO2 Electroreduction Eom, Taedaehyeong; Kim, Won June; Lim, Hyung-Kyu; Han, Myung Hoon; Han, Kyeong Hwan; Lee, Eok-Kyun; Lebegue, Sebastien; et al, JOURNAL OF PHYSICAL CHEMISTRY C, v.122, no.16, pp.9245 - 9254, 2018-04 |
Control of the mechanical strength of a bipyridine-based polymeric gel from linear nanofibre to helix with a chiral dopant Choi, Heekyoung; Ahn, Junho; Kim, Sungmin; Kim, Hyungjun; Jung, Jong Hwa, CHEMICAL COMMUNICATIONS, v.52, no.48, pp.7600 - 7603, 2016 |
Design of a heterogeneous catalytic process for the continuous and direct synthesis of lactide from lactic acid Upare, Pravin P; Yoon, Ji Woong; Hwang, Dong Won; Lee, U-Hwang; Hwang, Young Kyu; Hong, Do-Young; Kim, Jin Chul; et al, GREEN CHEMISTRY, v.18, no.22, pp.5978 - 5983, 2016 |
DFT Study of Water Adsorption and Decomposition on a Ga-Rich GaP(001)(2x4) Surface Jeon, Seokmin; Kim, Hyungjun; Goddard, William A.; Atwater, Harry A., JOURNAL OF PHYSICAL CHEMISTRY C, v.116, no.33, pp.17604 - 17612, 2012-08 |
Distorted Carbon Nitride Structure with Substituted Benzene Moieties for Enhanced Visible Light Photocatalytic Activities Kim, Hyejin; Gim, Suji; Jeon, Tae Hwa; Kim, Hyungjun; Choi, Wonyong, ACS APPLIED MATERIALS & INTERFACES, v.9, no.46, pp.40360 - 40368, 2017-11 |
Dye-Sensitized MoS2 Photodetector with Enhanced Spectral Photoresponse Yu, Seong Hun; Lee, Youngbin; Jang, Sung Kyu; Kang, Jinyeong; Jeon, Jiwon; Lee, Changgu; Lee, Jun Young; et al, ACS NANO, v.8, no.8, pp.8285 - 8291, 2014-08 |
Dynamics of simple fluids confined in cylindrical pore: Effect of pore size Kim, Hyungjun; Cho, CH; Lee, Eok Kyun, JOURNAL OF THEORETICAL COMPUTATIONAL CHEMISTRY, v.4, no.1, pp.305 - 315, 2005-03 |
Effect of electrolytes and soil minerals on nitrous oxide (N2O) hydrate formation kinetics Kyung, Daeseung; Park, Taehyung; Lim, Hyung Kyu; Kim, Hyungjun; Lee, Woojin, INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL, v.45, pp.34 - 42, 2016-02 |
Effect of marine environmental factors on the phase equilibrium of CO2 hydrate Kyung, Daeseung; Lee, Kyoungjin; Kim, Hyungjun; Lee, Woojin, INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL, v.20, pp.285 - 292, 2014-01 |
Effect of NaBH4 on properties of nanoscale zero-valent iron and its catalytic activity for reduction of p-nitrophenol Bae, Sungjun; Gim, Suji; Kim, Hyungjun; Hanna, Khalil, APPLIED CATALYSIS B-ENVIRONMENTAL, v.182, pp.541 - 549, 2016-03 |
Effect of Shuttling Catalyst on the Migration of Hydrogen Adatoms: A Strategy for the Facile Hydrogenation of Graphene Han, Sang Soo; Kim, Hyungjun; Park, Noejung, JOURNAL OF PHYSICAL CHEMISTRY C, v.115, no.50, pp.24696 - 24701, 2011-12 |
Electronic-Mechanical Coupling in Graphene from in situ Nanoindentation Experiments and Multiscale Atomistic Simulations Huang, Mingyuan; Pascal, Tod A.; Kim, Hyungjun; Goddard, William A., III; Greer, Julia R., NANO LETTERS, v.11, no.3, pp.1241 - 1246, 2011-03 |
Embedding Covalency into Metal Catalysts for Efficient Electrochemical Conversion of CO2 Lim, Hyung Kyu; Shin, Hyeyoung; Goddard, William A., III; Hwang, Yun Jeong; Min, Byoung Koun; Kim, Hyungjun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.136, no.32, pp.11355 - 11361, 2014-08 |
Enthalpy-Entropy Interplay in pi-Stacking Interaction of Benzene Dimer in Water Lee, Hankyul; Dehez, Francois; Chipot, Christophe; Lim, Hyung-Kyu; Kim, Hyungjun, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.15, no.3, pp.1538 - 1545, 2019-03 |
Exfoliated 2D Lepidocrocite Titanium Oxide Nanosheets for High Sulfur Content Cathodes with Highly Stable Li-S Battery Performance Patil, Sharad B.; Kim, Hyeon Jin; Lim, Hyung Kyu; Oh, Seung Mi; Kim, Jiheon; Shin, Jaeho; Kim, Hyungjun; et al, ACS ENERGY LETTERS, v.3, no.2, pp.412 - 419, 2018-02 |
Exfoliated Metal Oxide Nanosheets as Effective and Applicable Substrates for Atomically Dispersed Metal Nanoparticles with Tailorable Functionalities Seo, Jiyoon; Jin, Xiaoyan; Kim, Minho; Kim, In Young; Jo, Yun Kyung; Bera, Sandipan; Lee, Nam-Suk; et al, ADVANCED MATERIALS INTERFACES, v.3, no.20, 2016-10 |
Experimental and Density Functional Theory Corroborated Optimization of Durable Metal Embedded Carbon Nanofiber for Oxygen Electrocatalysis Ha, Yoonhoo; Kang, Sinwoo; Ham, Kahyun; Lee, Jaeyoung; Kim, Hyungjun, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.10, no.11, pp.3109 - 3114, 2019-06 |
Experimental and theoretical investigation into the correlation between mass and ion mobility for choline and other ammonium cations in N-2 Kim, Hyungjun; Kim, Hugh I.; Johnson, Paul V.; Beegle, Luther W.; Beauchamp, J. L.; Goddard, William A.; Kanik, Isik, ANALYTICAL CHEMISTRY, v.80, no.6, pp.1928 - 1936, 2008-03 |
Facile CO2 Electro-Reduction to Formate via Oxygen Bidentate Intermediate Stabilized by High-Index Planes of Bi Dendrite Catalyst Koh, Jai Hyun; Won, Da Hye; Eom, Taedaehyeong; Kim, Nak-Kyoon; Jung, Kwang Deog; Kim, Hyungjun; Hwang, Yun Jeong; et al, ACS CATALYSIS, v.7, no.8, pp.5071 - 5077, 2017-08 |
Failure of Density Functional Dispersion Correction in Metallic Systems and Its Possible Solution Using a Modified Many-Body Dispersion Correction Kim, Won June; Kim, Minho; Lee, Eok-Kyun; Lebegue, Sebastien; Kim, Hyungjun, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.7, no.16, pp.3278 - 3283, 2016-08 |
First-Principles Studies on Twinnability of Magnesium Alloys: Effects of Yttrium and Lithium on Compression Twinning Deformation Processes Kim, Won June; Han, Kyeong Hwan; Lee, Young Joo; Kim, Hyungjun; Lee, Eok Kyun, METALS AND MATERIALS INTERNATIONAL, v.24, no.4, pp.720 - 729, 2018-07 |
First-Principles Study of the alpha-beta Phase Transition of Ferroelectric Poly(vinylidene difluoride): Observation of Multiple Transition Pathways Kim, Won June; Han, Myung Hoon; Shin, Young-Han; Kim, Hyungjun; Lee, Eok-Kyun, JOURNAL OF PHYSICAL CHEMISTRY B, v.120, no.12, pp.3240 - 3249, 2016-03 |
Foldecture as a Core Material with Anisotropic Surface Characteristics Yoo, Sung Hyun; Eom, Taedaehyeon; Kwon, Sunbum; Gong, Jintaek; Kim, Jin; Cho, Sung June; Driver, Russell W.; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.137, no.6, pp.2159 - 2162, 2015-02 |
Free Energy Barrier for Molecular Motions in Bistable [2]Rotaxane Molecular Electronic Devices Kim, Hyungjun; Goddard, William A.; Jang, Seung Soon; Dichtel, William R.; Heath, James R.; Stoddart, James Fraser, JOURNAL OF PHYSICAL CHEMISTRY A, v.113, no.10, pp.2136 - 2143, 2009-03 |
Graphene field effect transistor without an energy gap Jang, Min Seok; Kim, Hyungjun; Son, Young-Woo; Atwater, Harry A.; Goddard, William A., PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.110, no.22, pp.8786 - 8789, 2013-05 |
Growth Mechanism and Electronic Structure of Zn3P2 on the Ga-Rich GaAs(001) Surface Jeon, Seokmin; Bosco, Jeffrey P.; Wilson, Samantha S.; Rozeveld, Steve J.; Kim, Hyungjun; Atwater, Harry A., JOURNAL OF PHYSICAL CHEMISTRY C, v.118, no.24, pp.12717 - 12726, 2014-06 |
Heterolayered 2D nanohybrids of uniformly stacked transition metal dichalcogenide-transition metal oxide monolayers with improved energy-related functionalities Jin, Xiaoyan; Shin, Seung Jae; Kim, Jungeun; Lee, Nam-Suk; Kim, Hyungjun; Hwang, Seong-Ju, JOURNAL OF MATERIALS CHEMISTRY A, v.6, no.31, pp.15237 - 15244, 2018-08 |
High efficiency n-Si/p-Cu2O core-shell nanowires photodiode prepared by atomic layer deposition of Cu2O on well-ordered Si nanowires array Kim, Hangil; Kim, Soo-Hyun; Ko, Kyung Yong; Kim, Hyungjun; Kim, Jaehoon; Oh, Jihun; Lee, Han-Bo-Ram, ELECTRONIC MATERIALS LETTERS, v.12, no.3, pp.404 - 410, 2016-05 |
High-efficiency and high-power rechargeable lithium-sulfur dioxide batteries exploiting conventional carbonate-based electrolytes Park, Hyeokjun; Lim, Hee-Dae; Lim, Hyung Kyu; Seong, Won Mo; Moon, Sehwan; Ko, Youngmin; Lee, Byungju; et al, NATURE COMMUNICATIONS, v.8, 2017-05 |
High-temperature high-pressure phases of lithium from electron force field (eFF) quantum electron dynamics simulations Kim, Hyungjun; Su, Julius T.; Goddard, William A., PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.108, no.37, pp.15101 - 15105, 2011-09 |
Highly Efficient, Selective, and Stable CO2 Electroreduction on a Hexagonal Zn Catalyst Won, Da Hye; Shin, Hyeyoung; Koh, Jaekang; Chung, Jaehoon; Lee, Hee Sang; Kim, Hyungjun; Woo, Seong-Ihl, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.55, no.32, pp.9297 - 9300, 2016-08 |
Highly selective adsorption of p-xylene over other C-8 aromatic hydrocarbons by Co-CUK-1: a combined experimental and theoretical assessment Yoon, Ji Woong; Lee, Ji Sun; Piburn, Graham W.; Cho, Kyoung Ho; Jeon, Keonghee; Lim, Hyung Kyu; Kim, Hyungjun; et al, DALTON TRANSACTIONS, v.46, no.46, pp.16096 - 16101, 2017-12 |
Host-Guest Chemistry in the Gas Phase: Complex Formation with 18-Crown-6 Enhances Helicity of Alanine-Based Peptides Ko, Jae Yoon; Heo, Sung Woo; Lee, Joon Ho; Oh, Han Bin; Kim, Hyungjun; Kim, Hugh I., JOURNAL OF PHYSICAL CHEMISTRY A, v.115, no.49, pp.14215 - 14220, 2011 |
Hybridization of a Metal-Organic Framework with a Two-Dimensional Metal Oxide Nanosheet: Optimization of Functionality and Stability Jo, Yun Kyung; Kim, Minho; Jin, Xiaoyan; Kim, In Young; Lim, Joohyun; Lee, Nam-Suk; Hwang, Young Kyu; et al, CHEMISTRY OF MATERIALS, v.29, no.3, pp.1028 - 1035, 2017-02 |
Inner-Sphere Electron-Transfer Single Iodide Mechanism for Dye Regeneration in Dye-Sensitized Solar Cells Jeon, Jiwon; Goddard, William A.; Kim, Hyungjun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.135, no.7, pp.2431 - 2434, 2013-02 |
Insight into Electrochemical CO2 Reduction on Surface-Molecule Mediated Ag Nanoparticles Kim, Cheonghee; Eom, Taedaehyeong; Jee, Michael Shincheon; Jung, Hyejin; Kim, Hyungjun; Min, Byoung Koun; Hwang, Yun Jeong, ACS CATALYSIS, v.7, no.1, pp.779 - 785, 2017-01 |
Insight into the Microenvironments of the Metal-Ionic Liquid Interface during Electrochemical CO2 Reduction Lim, Hyung-Kyu; Kwon, Youngkook; Kim, Han Seul; Jeon, Jiwon; Kim, Yong-Hoon; Lim, Jung-Ae; Kim, Beom-Sik; et al, ACS CATALYSIS, v.8, no.3, pp.2420 - 2427, 2018-03 |
Intercalation of Gas Molecules in Graphene Oxide Inter layer: The Role of Water Kim, Daeok; Kim, Dae Woo; Lim, Hyung-Kyu; Jeon, Jiwon; Kim, Hyungjun; Jung, Hee-Tae; Lee, Huen, JOURNAL OF PHYSICAL CHEMISTRY C, v.118, no.20, pp.11142 - 11148, 2014-05 |
Interfacial Reactions of Ozone with Surfactant Protein B in a Model Lung Surfactant System Kim, Hugh I.; Kim, Hyungjun; Shin, Young Shik; Beegle, Luther W.; Neidholdt, Evan L.; Goddard, William A.; Heath, James R.; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.132, no.7, pp.2254 - 2263, 2010-02 |
Intracavity Conformational Changes in Clathrate Hydrates Ahn, Yun-Ho; Lim, Hyung Kyu; Kang, Hyery; Kim, Hyungjun; Cha, Minjun; Shin, Kyuchul; Lee, Huen, JOURNAL OF PHYSICAL CHEMISTRY C, v.120, no.31, pp.17190 - 17195, 2016-08 |
Ion Exchange of Organic Ionic Compounds in Photoresist Ryu, Eui-Hyun; Hong, Chang-Young; Jang, Min Kyung; Kim, Myung-Yeol; Kim, Dong Yong; Ahn, Jae Yun; Lim, Hae-Jin; et al, JOURNAL OF PHOTOPOLYMER SCIENCE AND TECHNOLOGY, v.28, no.5, pp.695 - 700, 2015-10 |
Janus Pt surfaces derivatized with zwitterionic molecules for oxygen reduction reactions in alkaline and acid electrolytes Jung, Namgee; Shin, Hyeyoung; Kim, Mansu; Jang, Injoon; Kim, Hyoung-Juhn; Jang, Jong Hyun; Kim, Hyungjun; et al, NANO ENERGY, v.17, pp.152 - 159, 2015-10 |
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