Authors: Kim, Yongchul
Contributors: Lee, Geunsik
Subject Terms: Electrocatalyst, Water splitting, Density Functional Theory, DFT, Perovskite oxide
Relation: 200000651907; http://unist.dcollection.net/common/orgView/200000651907; https://scholarworks.unist.ac.kr/handle/201301/61690
Authors: Kwak, Sang Kyu, Shin, Byungsoo, Kang, Jungwon
Subject Terms: Hydrogen storage, Carbazole, Density functional theory, Dehydrogenation
Relation: ????????????????????? ?????????, v.21, no.1, pp.1139 - 1139; https://scholarworks.unist.ac.kr/handle/201301/42130; 12841; https://www.cheric.org/research/tech/proceedings/view.php?seq=124713&page=2&proceedingssearch=%EA%B3%BD%EC%83%81%EA%B7%9C
Authors: Kwak, Sang Kyu, Shin, Byungsu, Kang, Jungwon
Subject Terms: Hydrogen storage, Liquid Organic Hydrogen Carriers (LOHCs), Density functional theory
Relation: ????????????????????? ????????????, v.21, no.2, pp.1925 - 1925; https://scholarworks.unist.ac.kr/handle/201301/41814; 12880; http://www.cheric.or.kr/research/tech/proceedings/view.php?seq=133106&proceedingssearch=%EA%B0%95%EC%A0%95%EC%9B%90
Authors: Kwak, Sang Kyu, Jung, Gwanyoung, Lee, Junghyun, Kim, Jincheol
Subject Terms: Molybdenum disulfide, hydrogen evolution reaction, reaction mechanism, density functional theory, work function
Relation: ????????????????????? ????????????, v.21, no.2, pp.2165 - 2165; https://scholarworks.unist.ac.kr/handle/201301/41810; 12885; https://www.cheric.org/research/tech/proceedings/view.php?seq=133345&page=2&proceedingssearch=%EA%B3%BD%EC%83%81%EA%B7%9C
Subject Terms: water oxidation reaction, graphene, vacancies, reactivity, density functional theory
Relation: ????????????????????? ????????????, v.21, no.2, pp.2166; https://scholarworks.unist.ac.kr/handle/201301/41813; 12882; https://www.cheric.org/research/tech/proceedings/view.php?seq=133346&page=1&proceedingssearch=water+oxidation+reaction
Subject Terms: carbon allotrope, graphene, diamond film, density functional theory
Relation: ????????????????????? ????????????, v.21, no.2, pp.2031; https://scholarworks.unist.ac.kr/handle/201301/41794; 12881; https://www.cheric.org/research/tech/proceedings/view.php?seq=133212&page=2&proceedingssearch=%EA%B3%BD%EC%83%81%EA%B7%9C
Authors: Kristanto, Imanuel
Contributors: Kwak, Sang Kyu
Subject Terms: Multiscale molecular simulation, molecular dynamics, density functional theory, energy storage system, electrolyte, nanoparticles
Relation: 200000642177; http://unist.dcollection.net/common/orgView/200000642177; https://scholarworks.unist.ac.kr/handle/201301/59507
Subject Terms: density functional theory, modulation doping, atom projected density of states, transition metal dichalcogenides, high-k
Relation: 2D MATERIALS, v.2, no.4, pp.045009 -; https://scholarworks.unist.ac.kr/handle/201301/21317; http://iopscience.iop.org/article/10.1088/2053-1583/2/4/045009/meta; 3352; 27817; 2-s2.0-84953374509; 000368936600027
Authors: Kim, Minsung, Im, Jino, Freeman, AJ, Ihm, Jisoon, Jin, Hosub
Subject Terms: WANNIER FUNCTIONS, CRYSTAL-STRUCTURE, SOLAR-CELLS, DEPOSITION, CATIONS, LENGTHS, TIN, electronic structure, density functional theory, effective Hamiltonian
Relation: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.111, no., pp.6900 -; https://scholarworks.unist.ac.kr/handle/201301/16813; http://www.pnas.org/content/111/19/6900; 2701; 22509; 2-s2.0-84900500424; 000335798000045
Authors: Ghassami, Amirreza
Contributors: Kim, Kwang Soo
Subject Terms: surface science, graphene nanoribbons, surface assembled molecules, DNA nucleobases, guanine quartet network, binary metallic surface alloy, scanning tunneling microscopy and spectroscopy, density functional theory
Relation: 200000506761; http://unist.dcollection.net/common/orgView/200000506761; https://scholarworks.unist.ac.kr/handle/201301/53763
Authors: Kwak, Jahun, Tonkyn, Russell, Tran, Diana, Mei, Donghai, Cho, Sung June, Kovarik, Libor, Lee, Jong H., Peden, Charles H. F., Szanyi, Janos
Subject Terms: selective catalytic reduction, gamma-alumina, copper Oxide, ammonia, nitric oxides, morphological effects, density functional theory
Relation: ACS CATALYSIS, v.2, no.7, pp.1432 - 1440; https://scholarworks.unist.ac.kr/handle/201301/12289; 1290; 21816; 2-s2.0-84863609174; 000306297900018
Authors: Sung, Dongchul, Park, Noejung, Kim, Gunn, Hong, Suklyun
Subject Terms: Binding affinities, Binding properties, Binding strength, Carbon nanotubes (CNTs), Complex composites, Defect-free, Metal nanoclusters, Ni adatom, Spin-polarized density functional theory
Relation: NANOTECHNOLOGY, v.23, no.20, pp. -; https://scholarworks.unist.ac.kr/handle/201301/3513; http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84860500056; 1042; 445; 2-s2.0-84860500056; 000303531400007
Authors: Jung, Jaehoon, Shin, Hyung-Joon, Kim, Yousoo, Kawai, Maki
Subject Terms: Ag(100), Density functional theory calculations, Heterogeneous catalyst, Ligand field, Metal substrate, MgO films, Oxide-metal interface, Ultra-thin, Ultra-thin oxide films, Water molecule
Relation: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.134, no.25, pp.10554 - 10561; https://scholarworks.unist.ac.kr/handle/201301/3189; http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84863479213; 1138; 10367; 2-s2.0-84863479213; 000305716700040
Authors: Song, Min-Kyu, Cheng, Shuang, Chen, Haiyan, Qin, Wentao, Nam, Kyung-Wan, Xu, Shucheng, Yang, Xiao-Qing, Bongiorno, Angelo, Lee, Jangsoo, Bai, Jianming, Tyson, Trevor A., Cho, Jaephil, Liu, Meilin
Subject Terms: Active material, Charge storage, Cycling life, Density functional theory calculations, Double-layer capacitance, Electrical energy, Electrochemical capacitor, Emerging applications, In-situ, Mixed valence state, Mixed-valent, Mixed-valent compounds, Nano-architecture, Nano-structured, Performance enhancements, Power densities, Pseudocapacitance, Pseudocapacitive behavior, Pseudocapacitors, Rational design, Specific capacitance
Relation: NANO LETTERS, v.12, no.7, pp.3483 - 3490; https://scholarworks.unist.ac.kr/handle/201301/2986; http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84863848926; 1063; 1082; 10268; 2-s2.0-84863848926; 000306296200022
Authors: Bae, Giyeol, Jung, Hyun, Park, Noejung, Park, Jinwoo, Hong, Suklyun, Park, Wanjun
Subject Terms: Carbon surface, Charge transfer complex, Density-functional theory calculations, Electron transfer, Electron-accepting, Energy level alignment, Hole transports, Metal surfaces, Molecular species, Organic molecules
Relation: APPLIED PHYSICS LETTERS, v.100, no.18, pp. -; https://scholarworks.unist.ac.kr/handle/201301/2453; http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84862583734; 1042; 457; 2-s2.0-84862583734; 000303598600043
Authors: Yang, Lei, Choi, YongMan, Qin, Wentao, Chen, Haiyan, Blinn, Kevin, Liu, Mingfei, Liu, Ping, Bai, Jianming, Tyson, Trevor A., Liu, Meilin
Subject Terms: DENSITY-FUNCTIONAL THEORY, MINIMUM ENERGY PATHS, ELASTIC BAND METHOD, SADDLE-POINTS, SYNTHESIS GAS, METHANE FUEL, ANODE, NI, OXIDATION, TEMPERATURE
Relation: NATURE COMMUNICATIONS, v.2, no.357, pp. -; https://scholarworks.unist.ac.kr/handle/201301/9150; http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=79959563524; 1082; 18975; 2-s2.0-79959563524; 000294804400023
Authors: Jung, Jaehoon, Shin, Hyung-Joon, Kim, Yousoo, Kawai, Maki
Subject Terms: Ag(100), Buried interface, Interface defects, Metal substrate, MgO films, Oxide surface, Oxide-metal interface, Periodic density functional theory calculations, Strong enhancement, Ultra-thin, Ultra-thin oxide films, Water dissociation
Relation: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.133, no.16, pp.6142 - 6145; https://scholarworks.unist.ac.kr/handle/201301/3615; http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=79955030526; 1138; 11761; 2-s2.0-79955030526; 000292715500012
Authors: Han, Sang Soo, Kim, Hyungjun, Park, Noejung
Subject Terms: Catalytic effects, Density functional theory calculations, Direct transition, H migration, Hydrogen adatoms, Physisorbed molecules, Randomly distributed, Second-nearest-neighbor, Thermodynamic effect
Relation: JOURNAL OF PHYSICAL CHEMISTRY C, v.115, no.50, pp.24696 - 24701; https://scholarworks.unist.ac.kr/handle/201301/3209; http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84863116480; 1042; 162; 2-s2.0-84863116480; 000297947700034
Authors: Cheng, Zhe, Wang, Jeng-Han, Choi, YongMan, Yang, Lei, Lin, M. C., Liu, Meilin
Subject Terms: Alternative anodes, Anode material, Anode surfaces, Available fuels, Computational framework, Critical challenges, Density functional theory calculations, Different scale, Electrochemical behaviors, Electrode surfaces, Ex situ, Experimental approaches, Experimental methods, Experimental observation, Future perspectives, In-situ, In-situ characterization, Multiscales, New directions, Rational design, Rigorous validation, SOFC system, Sulfur poisoning, SULFUR tolerance, Sulfur-containing compounds, Sulfur-tolerant anode material, Theoretical prediction
Relation: ENERGY & ENVIRONMENTAL SCIENCE, v.4, no.11, pp.4380 - 4409; https://scholarworks.unist.ac.kr/handle/201301/2566; http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=80055058984; 1082; 10492; 2-s2.0-80055058984; 000296248100002
Authors: Park, Noejung, Sung, Dongchul, Lim, Seokho, Moon, Seongho, Hong, Suklyun
Subject Terms: adsorption, aluminium, atomic clusters, carbon nanotubes, chemisorption, density functional theory, gold, metal clusters, nanoparticles, palladium, platinum, titanium
Relation: APPLIED PHYSICS LETTERS, v.94, no.7, pp. -; https://scholarworks.unist.ac.kr/handle/201301/8501; http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=60749132835; 1042; 18317; 2-s2.0-60749132835; 000263599200061