Browse by Subject AUGMENTED-WAVE METHOD
Showing results 32 to 91 of 93
| Effect of charge doping on the electronic structure, orbital polarization, and structural distortion in nickelate superlattice Kim, Heung-Sik; Han, Myung Joon, PHYSICAL REVIEW B, v.91, no.23, pp.235102, 2015-06 |
| Effect of edges on the stability and magnetic interaction of Co atoms embedded in zigzag graphene nanoribbons Lee, Alex Taekyung; Chang, Kee-Joo, PHYSICAL REVIEW B, v.87, no.8, pp.085435, 2013-02 |
| Electronic structure of oxygen vacancy in crystalline InGaO3(ZnO)(m) Lee, W. -J.; Ryu, B.; Chang, Kee-Joo, PHYSICA B-CONDENSED MATTER, v.404, no.23-24, pp.4794 - 4796, 2009-12 |
| Electronic structure of oxygen-vacancy defects in amorphous In-Ga-Zn-O semiconductors Noh, Hyeon-Kyun; Chang, Kee-Joo; Ryu, Byung-Ki; Lee, Woo-Jin, PHYSICAL REVIEW B, v.84, no.11, pp.115205 - 115205, 2011-09 |
| Electronic structures of oxygen-deficient Ta2O5 Yang, Yong; Nahm, Ho-Hyun; Sugino, Osamu; Ohno, Takahisa, AIP ADVANCES, v.3, no.4, 2013-04 |
| Enhanced electron-mediated ferromagnetism in Co-doped ZnO nanowires Choi, Eun-Ae; Lee, Woo-Jin; Chang, Kee-Joo, JOURNAL OF APPLIED PHYSICS, v.108, no.2, pp.023904 - 023904, 2010-07 |
| Enhancement of Friction by Water Intercalated between Graphene and Mica Lee, Hyunsoo; Ko, Jae Hyeon; Choi, Jin Sik; Hwang, Jin Heui; Kim, Yong-Hyun; Salmeron, Miguel; Park, Jeong Young, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.8, no.15, pp.3482 - 3487, 2017-08 |
| Factors Affecting the Exfoliation of Graphite Intercalation Compounds for Graphene Synthesis Yoon, Gabin; Seo, Dong-Hwa; Ku, Kyojin; Kim, Jungmo; Jeon, Seokwoo; Kang, Kisuk, CHEMISTRY OF MATERIALS, v.27, no.6, pp.2067 - 2073, 2015-03 |
| Finite-size supercell correction scheme for charged defects in one-dimensional systems Kim, Sung-Hyun; Chang, Kee-Joo; Park, Ji-Sang, PHYSICAL REVIEW B, v.90, no.8, pp.085435 - 085435, 2014-08 |
| First-Principles Design of Hydrogen Dissociation Catalysts Based on Isoelectronic Metal Solid Solutions Seo, Dong-Hwa; Shin, Hyeyoung; Kang, Kisuk; Kim, Hyungjun; Han, Sang Soo, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.5, no.11, pp.1819 - 1824, 2014-06 |
| First-Principles LDA plus U Study of Hydrogen Impurities in Anatase TiO2 Nahm, Ho Hyun; Park, CH, JOURNAL OF THE KOREAN PHYSICAL SOCIETY, v.56, no.1, pp.485 - 489, 2010-01 |
| First-principles study of microscopic properties of the Nb antisite in LiNbO3: Comparison to phenomenological polaron theory Nahm, Ho Hyun; Park, CH, PHYSICAL REVIEW B, v.78, no.18, pp.1324 - 1332, 2008-11 |
| First-principles Study of the Electronic Structure of Crystalline InGaO3(ZnO)(3) Lee, Woo Jin; Choi, Eun-Ae; Bang, Junhyeok; Ryu, Byungki; Chang, Kee-Joo, JOURNAL OF THE KOREAN PHYSICAL SOCIETY, v.55, pp.112 - 115, 2009-07 |
| Gold nanoparticle-doped graphene nanosheets: sub-nanosized gold clusters nucleate and grow at the nitrogen-induced defects on graphene surfaces Koo, Hye Young; Lee, Ha-Jin; Noh, Yong-Young; Lee, Eui-Sup; Kim, Yong-Hyun; Choi, Won San, JOURNAL OF MATERIALS CHEMISTRY, v.22, no.15, pp.7130 - 7135, 2012-02 |
| Hydraulic Power Manufacturing for Highly Scalable and Stable 2D Nanosheet Dispersions and Their Film Electrode Application Jeong, Jae-Min; Kang, Heon Gyu; Kim, Hyung-Jin; Hong, Seok Bok; Jeon, Hyeonyeol; Hwang, Sung Yeon; Seo, Donghyuk; et al, ADVANCED FUNCTIONAL MATERIALS, v.28, no.43, pp.1802952 - 1802952, 2018-10 |
| Impact of Isovalent and Aliovalent Doping on Mechanical Properties of Mixed Phase BiFeO3 Heo, Yooun; Hu, Songbai; Sharma, Pankaj; Kim, Kwang-Eun; Jang, Byung-Kweon; Cazorla, Claudio; Yang, Chan-Ho; et al, ACS NANO, v.11, no.3, pp.2805 - 2813, 2017-03 |
| Instability of amorphous oxide semiconductors via carrier-mediated structural transition between disorder and peroxide state Nahm, Ho-Hyun; Kim, Yong-Sung; Kim, Dae Hwan, PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, v.249, no.6, pp.1277 - 1281, 2012-06 |
| Interfacial Thermal Conductance Observed to be Higher in Semiconducting than Metallic Carbon Nanotubes Kang, Stephen Dongmin; Lim, Seong Chu; Lee, Eui-Sup; Cho, Young Woo; Kim, Yong-Hyun; Lyeo, Ho-Ki; Lee, Young Hee, ACS NANO, v.6, no.5, pp.3853 - 3860, 2012-05 |
| Intrinsic nature of visible-light absorption in amorphous semiconducting oxides Kang, Youngho; Song, Hochul; Nahm, Ho-Hyun; Jeon, Sang Ho; Cho, Youngmi; Han, Seungwu, APL MATERIALS, v.2, no.3, 2014-03 |
| Inversion domain boundaries on tin (Sn)-doped ZnO nanobelts: Aberration-corrected scanning transmission electron microscopy study Park, Yun Chang; Kim, Young Heon; Nahm, Ho-Hyun; Noh, Ji-Young; Kim, Yong-Sung; Kim, Joondong; Lee, Won Seok; et al, APPLIED PHYSICS LETTERS, v.102, 2013-01 |
| Is the Chain of Oxidation and Reduction Process Reversible in Luminescent Graphene Quantum Dots? Jang, Min-Ho; Ha, Hyun Dong; Lee, Eui-Sup; Liu, Fei; Kim, Yong-Hyun; Seo, Tae Seok; Cho, Yong-Hoon, SMALL, v.11, no.31, pp.3773 - 3781, 2015-08 |
| Isotope- and Thickness-Dependent Friction of Water Layers Intercalated Between Graphene and Mica Lee, Hyunsoo; Ko, Jae Hyeon; Song, Hee Chan; Salmeron, Miquel; Kim, Yong-Hyun; Park, Jeong Young, TRIBOLOGY LETTERS, v.66, no.36, 2018-03 |
Magnetic ground state of SrRuO3 thin film and applicability of standard first-principles approximations to metallic magnetism Ryee, Siheon; Han, Myung Joon, SCIENTIFIC REPORTS, v.7, pp.4635, 2017-07 |
| Magnetic proximity effect and spin-orbital texture at the Bi2Se3/EuS interface Lee, Alex Taekyung; Han, Myung Joon; Park, Kyungwha, PHYSICAL REVIEW B, v.90, no.15, 2014-10 |
| Mechanistic Investigation of the Catalytic Decomposition of Ammonia (NH3) on an Fe(100) Surface: A DFT Study Yeo, Sang Chul; Han, Sang Soo; Lee, Hyuck Mo, JOURNAL OF PHYSICAL CHEMISTRY C, v.118, no.10, pp.5309 - 5316, 2014-03 |
| Nanostructuring one-dimensional and amorphous lithium peroxide for high round-trip efficiency in lithium-oxygen batteries Dutta, Arghya; Wong, Raymond A.; Park, Woonghyeon; Yamanaka, Keisuke; Ohta, Toshiaki; Jung, Yousung; Byon, Hye Ryung, Nature Communications, v.9, pp.680, 2018-02 |
| O-vacancy as the origin of negative bias illumination stress instability in amorphous In-Ga-Zn-O thin film transistors Ryu, Byung-Ki; Noh, Hyeon-Kyun; Choi, Eun-Ae; Chang, Kee-Joo, APPLIED PHYSICS LETTERS, v.97, no.2, pp.022108 - 022108, 2010-07 |
| Origin and passivation of fixed charge in atomic layer deposited aluminum oxide gate insulators on chemically treated InGaAs substrates Shin, Byungha; Weber, Justin R.; Long, Rathnait D.; Hurley, Paul K.; Van de Walle, Chris G.; McIntyre, Paul C., APPLIED PHYSICS LETTERS, v.96, no.15, 2010-04 |
| Origin of anomalous strain effects on the molecular adsorption on boron-doped graphene Kang, Joongoo; Kim, Yong-Hyun; Glatzmaier, Greg C.; Wei, Su-Huai, JOURNAL OF CHEMICAL PHYSICS, v.139, no.4, 2013-07 |
| Origin of the Diverse Melting Behaviors of Intermediate-Size Nanoclusters: Theoretical Study of Al(N) (N=51-58, 64) Kang, J; Wei, SH; Kim, Yong-Hyun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.132, no.51, pp.18287 - 18291, 2010-12 |
| Probing surface oxide formations on SiO2-supported platinum nanocatalysts under CO oxidation Oh, Sunyoung; Back, Seoin; Doh, Won Hui; Moon, Song Yi; Kim, Jeongjin; Jung, Yousung; Park, Jeong Young, RSC ADVANCES, v.7, no.71, pp.45003 - 45009, 2017 |
| Promotion of electrochemical oxygen evolution reaction by chemical coupling of cobalt to molybdenum carbide Kim, MinJoong; Kim, Sunghyun; Song, DongHoon; Oh, Se-Kwon; Chang, Kee Joo; Cho, EunAe, APPLIED CATALYSIS B-ENVIRONMENTAL, v.227, pp.340 - 348, 2018-07 |
| Quantitative Analysis of Calcium Phosphate Nanocluster Growth Using Time-of-Flight Medium-Energy-Ion-Scattering Spectroscopy Park, Jimin; Yang, Ki Dong; Kim, Na-Young; Jung, Kang-Won; Le, Viet-Duc; Lim, Hee-Jin; An, Junghyun; et al, ACS CENTRAL SCIENCE, v.4, no.9, pp.1253 - 1260, 2018-09 |
| Recent development of atom-pairwise van der waals corrections for density functional theory: From molecules to solids Kim, Minho; Kim, Won-June; Lee, Eok Kyun; Lebegue, Sebastien; Kim, Hyungjun, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.8, pp.598 - 607, 2016-04 |
| Restoration of the genuine electronic properties of functionalized single-walled carbon nanotubes Um, Jo-Eun; Chung, Chan-Hwa; Lee, DohChang; Yoo, Pil J.; Kim, Woo-Jae, RSC ADVANCES, v.4, no.81, pp.42930 - 42935, 2014 |
| Reversible ferromagnetic spin ordering governed by hydrogen in Co-doped ZnO semiconductor Cho, Yong Chan; Kim, Sung-Jin; Lee, Seunghun; Kim, Su Jae; Cho, Chae Ryong; Nahm, Ho-Hyun; Park, Chul Hong; et al, APPLIED PHYSICS LETTERS, v.95, no.17, 2009-10 |
| Scalable Water-Based Production of Highly Conductive 2D Nanosheets with Ultrahigh Volumetric Capacitance and Rate Capability Jeon, Hyeonyeol; Jeong, Jae-Min; Kang, Heon Gyu; Kim, Hyung-Jin; Park, Jeyoung; Kim, Do Hyun; Jung, Young Mee; et al, ADVANCED ENERGY MATERIALS, v.8, no.18, pp.1800227 - 1800227, 2018-06 |
| Selective and Regenerative Carbon Dioxide Capture by Highly Polarizing Porous Carbon Nitride Oh, Youngtak; Le, Viet-Duc; Maiti, Uday Narayan; Hwang, Jin-Ok; Park, Woo-Jin; Lim, Joonwon; Lee, Kyung Eun; et al, ACS NANO, v.9, no.9, pp.9148 - 9157, 2015-09 |
| Selective Heterogeneous CO2 Electroreduction to Methanol Back, Seoin; Kim, Hee-Jin; Jung, You-Sung, ACS CATALYSIS, v.5, no.2, pp.965 - 971, 2015-02 |
| Shape Control of Al Nanoclusters by Ligand Size Xiang, HJ; Kang, J; Wei, SH; Kim, Yong-Hyun; Curtis, C; Blake, D, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.131, no.24, pp.8522 - 8526, 2009-06 |
| Site preference of Mg acceptors and improvement of p-type doping efficiency in nitride alloys Park, Ji-Sang; Chang, Kee-Joo, JOURNAL OF PHYSICS-CONDENSED MATTER, v.25, no.24, pp.245801 - 245801, 2013-06 |
| Slow colloidal growth of PbSe nanocrystals for facile morphology and size control Lee, Seokwon; Lee, Dennis T.; Ko, Jae Hyeon; Kim, Woo-Jae; Joo, Jin; Jeong, Sohee; McGuire, John A.; et al, RSC ADVANCES, v.4, no.19, pp.9842 - 9850, 2014 |
| Stability and Segregation of B and P Dopants in Si/SiO2 Core-Shell Nanowires Kim, Sung-Hyun; Park, Ji-Sang; Chang, Kee-Joo, NANO LETTERS, v.12, no.10, pp.5068 - 5073, 2012-10 |
| Strain-controlled boron and nitrogen doping of amorphous carbon layers for hard mask applications Kim, TaeWan; Kim, Dongbin; Kim, Yong-Sung; Park, Hyun Sang; Lim, Sung Kyu; Park, Keun Oh.; Kim, Taesung; et al, DIAMOND AND RELATED MATERIALS, v.69, pp.102 - 107, 2016-10 |
| Structural and electronic properties of crystalline InGaO3 (ZnO)(m) Lee, Woo-Jin; Choi, Eun-Ae; Bang, Junhyeok; Ryu, Byung-Ki; Chang, Kee-Joo, APPLIED PHYSICS LETTERS, v.93, no.11, pp.111901 - 111901, 2008-09 |
| Structure dependent active sites of NixSy as electrocatalysts for hydrogen evolution reaction Chung, Dong Young; Han, Joung Woo; Lim, Dong-Hee; Jo, Jun-Ho; Yoo, Sung Jong; Lee, Hyun-Joo; Sung, Yung-Eun, NANOSCALE, v.7, no.12, pp.5157 - 5163, 2015-03 |
| Structure, strain, and the ground state of the LaTiO3/LaAlO3 superlattice Lee, Alex Taekyung; Han, Myung Joon, PHYSICAL REVIEW B, v.89, no.11, 2014-03 |
| Structure-Induced Ferromagnetic Stabilization in Free-Standing Hexagonal Fe1.3Ge Nanowires Yoon, Ha-Na; Lee, Tae-Kyong; Choi, Eun-Ae; Seo, Kwan-Yong; Bagkar, Nitin; Cho, Jae-Hun; Jo, Young-Hun; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.132, no.49, pp.17447 - 17451, 2010-12 |
| Studies on Catalytic Activity of Hydrogen Peroxide Generation according to Au Shell Thickness of Pd/Au Nanocubes Kim, Inho; Seo, Myung-gi; Choi, Changhyeok; Kim, Jin Soo; Jung, Euiyoung; Hang, Geun-Ho; Lee, Jae-Chul; et al, ACS APPLIED MATERIALS & INTERFACES, v.10, no.44, pp.38109 - 38116, 2018-11 |
| Surface Plasmon Aided Ethanol Dehydrogenation Using Ag-Ni Binary Nanoparticles Kim, Chanyeon; Suh, Bong Lim; Yun, Hong-Seok; Kim, Jihan; Lee, Hyunjoo, ACS CATALYSIS, v.7, no.4, pp.2294 - 2302, 2017-04 |
| Synergy of atom-probe structural data and quantum-mechanical calculations in a theory-guided design of extreme-stiffness superlattices containing metastable phases Friák, M; Tytko, D; Holec, D; Choi, Pyuck-Pa; Eisenlohr, P; Raabe, D; Neugebauer, J, NEW JOURNAL OF PHYSICS, v.17, 2015-09 |
| Tailored semiconducting carbon nanotube networks with enhanced thermoelectric properties Avery, Azure D.; Zhou, Ben H.; Lee, Jounghee; Lee, Eui-Sup; Miller, Elisa M.; Ihly, Rachelle; Wesenberg, Devin; et al, NATURE ENERGY, v.1, 2016-04 |
| The effect of Ga vacancies on the defect and magnetic properties of Mn-doped GaN Kang, J; Chang, Kee-Joo, JOURNAL OF APPLIED PHYSICS, v.102, pp.4507 - 4509, 2007-10 |
| The effects of surface polarity and dangling bonds on the electronic properties of monolayer and bilayer MoS2 on alpha-quartz Sung, Ha Jun; Choe, Duk Hyun; Chang, Kee-Joo, NEW JOURNAL OF PHYSICS, v.16, pp.113055 - 113055, 2014-11 |
| The electronic structure and band gap of LiFePO4 and LiMnPO4 Zhou F; Kang KS; Maxisch T; Ceder G; Morgan D, SOLID STATE COMMUNICATIONS, v.132, no.3-4, pp.181 - 186, 2004-10 |
| The origin of p-type conductivity in P-doped ZnO Lee, WJ; Kang, JG; Chang, Kee-Joo, JOURNAL OF THE KOREAN PHYSICAL SOCIETY, v.50, pp.602 - 607, 2007-03 |
| The Role of Adsorbed CN and CI on an Au Electrode for Electrochemical CO2 Reduction Cho, Minhyung; Song, Jun Tae; Back, Seoin; Jung, Yousung; Oh, Jihun, ACS CATALYSIS, v.8, no.2, pp.1178 - 1185, 2018-02 |
| Theoretical study of the ammonia nitridation rate on an Fe (100) surface: A combined density functional theory and kinetic Monte Carlo study Yeo, Sang Chul; Lo, Yu Chieh; Li, Ju; Lee, Hyuck-Mo, JOURNAL OF CHEMICAL PHYSICS, v.141, no.13, pp.134108-1 - 134108-8, 2014-10 |
| Tuning Dirac points by strain in MoX2 nanoribbons (X = S, Se, Te) with a 1T ' structure Sung, Ha-Jun; Choe, Duk-Hyun; Chang, Kee Joo, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.18, no.24, pp.16361 - 16366, 2016-06 |
| Tuning the Pd-catalyzed electroreduction of CO2 to CO with reduced overpotential Han, Zishan; Choi, Changhyeok; Tao, Hengcong; Fan, Qun; Gao, Yuannan; Liu, Shizhen; Robertson, Alex W.; et al, CATALYSIS SCIENCE & TECHNOLOGY, v.8, no.15, pp.3894 - 3900, 2018-08 |
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