Authors: Moorthy, Megala, Moorthy, Brindha, Ganesan, Bala Krishnan, Saha, Aditi, Yu, Seungju, Kim, Do-Hoon, Hong, Seungbum, Park, Sangho, Kang, Kisuk, Thangavel, Ranjith, Lee, Yun-Sung
Contributors: Kang, Kisuk
Subject Terms: ION BATTERIES, SUPPRESSION, INTERPHASE, INSIGHTS, artificial SEI layer, dendrites, density functional theory, sodium metal anode, solid electrolyte interphase
Relation: Advanced Functional Materials, Vol.33 No.42; https://hdl.handle.net/10371/195315; 001009837900001; 2-s2.0-85161965933; 186846
Authors: Ham, Youngjin, Kim, Chungryeol, Shin, Donghan, Kim, Il-Doo, Kang, Kisuk, Jung, YounJoon, Lee, Dongwhan, Jeon, Seokwoo
Contributors: Kang, Kisuk, Jung, YounJoon, Lee, Dongwhan
Subject Terms: GRAPHITE, INTERCALATION, CATHODE, ANODES, ENERGY, SALT, density functional theory (DFT) calculations, energy storage, graphene, lithium-ion batteries, metal-free, organic electrodes
Relation: Small, Vol.19 No.44; https://hdl.handle.net/10371/195314; 001017907200001; 2-s2.0-85163716916; 187490
Authors: Park, Sunghee, Kim, Young-Hoon, Kang, Sungwoo, Lim, Donggyu, Park, Jinwoo, Jang, Dawoon, Choi, Seungjoo, Kim, Jeongho, Han, Seungwu, Lee, Tae-Woo, Park, Sungjin
Contributors: Han, Seungwu, Lee, Tae-Woo
Subject Terms: carbon nitrides, density functional theory simulations, diazonium salts, light-emitting diodes, two-dimensional materials
Relation: Small Science, Vol.1 No.2, p. 2000042; https://hdl.handle.net/10371/195123; 000914247800006; 2-s2.0-85152608162; 169671
Authors: Zhou, Fei, Cococcioni, Matteo, Kang, Kisuk, Ceder, Gerbrand
Contributors: 강기석, Kang, Kisuk
Subject Terms: RECHARGEABLE LITHIUM BATTERIES, DENSITY-FUNCTIONAL THEORY, TOTAL-ENERGY CALCULATIONS, WAVE BASIS-SET, ELECTROCHEMICAL PROPERTIES, AB-INITIO, LIXM2(PO4)(3) COMPOUNDS, CATHODE MATERIALS, NASICON STRUCTURE, MANGANESE OXIDES, battery cathode, density functional theory, LDA plus U, olivine, redox potential
Relation: Electrochemistry Communications, Vol.6 No.11, pp.1144-1148; 92981; https://hdl.handle.net/10371/165195; 000224648600011; 2-s2.0-5644221398
Authors: Min, Dong Joo, Lee, Kyunam, Park, Soo Young, Kwon, Ji Eon
Contributors: Park, Soo Young
Subject Terms: ELECTROCHEMICAL PROPERTIES, LITHIUM, CATHODE, density functional theory, electrochemistry, Li-ion batteries, organic batteries, organic electrodes
Relation: ChemSusChem, Vol.13 No.9, pp.2303-2311; https://hdl.handle.net/10371/195035; 000525808500001; 2-s2.0-85083450320; 137364
Authors: Zhou, Fei, Kang, Kisuk, Maxisch, Thomas, Ceder, Gerbrand, Morgan, Dane
Contributors: 강기석, Kang, Kisuk
Subject Terms: DENSITY-FUNCTIONAL THEORY, TOTAL-ENERGY CALCULATIONS, AUGMENTED-WAVE METHOD, LITHIUM BATTERIES, SPECTRA, SEMICONDUCTORS, INSULATORS, PHOSPHATES, CATHODES, SYSTEMS, olivine, band gap, electronic structure, diffuse reflectance spectroscopy
Relation: Solid State Communications, Vol.132 No.3-4, pp.181-186; 92979; https://hdl.handle.net/10371/165194; 000224187500007; 2-s2.0-4444381464
Authors: Kim, Heejin, Kim, Dong Jun, Seo, Dong-Hwa, Yeom, Min Sun, Kang, Kisuk, Kim, Do Kyung, Jung, Yousung
Contributors: 강기석, Kang, Kisuk
Subject Terms: ELECTROCHEMICAL PROPERTIES, LITHIUM INTERCALATION, ELECTRODE MATERIALS, POSITIVE ELECTRODE, MANGANESE OXIDES, STABILITY, INSERTION, VOLTAGE, CATHODE, SPINEL, sodium ion batteries, density functional theory, sodium manganese oxide, insertion/deinsertion mechanism, Jahn-Teller distortion
Relation: Chemistry of Materials, Vol.24 No.6, pp.1205-1211; 92886; https://hdl.handle.net/10371/165144; 000301947000031; 2-s2.0-84859139965
Authors: Choi, Seung Ho, Lee, Seung Jong, Yoo, Dong-Joo, Park, Jun Ho, Park, Jae-Hyuk, Ko, You Na, Park, Jungjin, Sung, Yung-Eun, Chung, Sung-Yoon, Kim, Heejin, Choi, Jang Wook
Contributors: 최장욱, 성영은, Sung, Yung-Eun, Choi, Jang Wook
Subject Terms: SOLID-ELECTROLYTE INTERPHASES, ANODE, DEPOSITION, ENERGY, EFFICIENCY, BEHAVIOR, ION, MG, adsorption energy, density functional theory, interfacial energy, lithium metal anodes, surface energy
Relation: Advanced Energy Materials, Vol.9 No.41, p. 1902278; 91705; https://hdl.handle.net/10371/164686; 000486873300001; 2-s2.0-85073962024
Authors: Kim, Young-Hoon, Han, Tae-Hee, Lee, Changsoo, Kim, Yun-Hi, Yang, Yang, Lee, Tae-Woo
Contributors: 이태우, Lee, Tae-Woo
Subject Terms: charge balance, charge-balance assistant molecules, density functional theory, dopant aggregation, molecular dynamics
Relation: Advanced Functional Materials, Vol.30 No.46, p. 2005292; 121468; https://hdl.handle.net/10371/179122; 2-s2.0-85090466332; 000568795700001
Authors: 이상민
Contributors: 김미영, Lee, Sangmin, 공과대학 재료공학부
Subject Terms: III–VI metal chalcogenides, van der Waals layered materials, indium telluride, scanning transmission electron microscopy, molecular beam epitaxy, density functional theory, Rashba effect, topological insulator, 620.1
File Description: xvi, 106
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Availability:
https://hdl.handle.net/10371/196381
https://dcollection.snu.ac.kr/common/orgView/000000179460
Authors: 이형우
Contributors: 조맹효, Hyungwoo Lee, 공과대학 기계항공공학부(멀티스케일 기계설계전공)
Subject Terms: Multiscale simulations, Molecular dynamics simulations, Density functional theory, Photochemistry, Continuum simulation, Photoresist, EUV, Lithography, Semiconductor, Post-exposure bake
Time: 621
File Description: ix, 96
Relation: 000000166888; https://hdl.handle.net/10371/178161; https://dcollection.snu.ac.kr/common/orgView/000000166888; I804:11032-000000166888; 000000000046▲000000000053▲000000166888▲
Availability:
https://hdl.handle.net/10371/178161
https://dcollection.snu.ac.kr/common/orgView/000000166888
Authors: 신채수
Contributors: 신석민, Shin, Chaesoo, 자연과학대학 화학부, 물리화학
Subject Terms: density functional theory, graphene, graphene nanoflake, lithium, air, ambient condition, 밀도범함수 이론, 그래핀, 그래핀 나노플레이크, 리튬, 공기, 주 위 환경
Time: 540
File Description: iv, 52
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Availability:
https://hdl.handle.net/10371/179007
https://dcollection.snu.ac.kr/common/orgView/000000166512
Authors: 손문기
Contributors: 신석민, Moongi Son, 자연과학대학 화학부, 물리화학
Subject Terms: Graphene oxidation, Mechanistic study, Density-functional theory(DFT), Graphene flake, 그래핀 산화, 반응 메커니즘 연구, 밀도범함수이론(DFT), 그래핀 조각
Time: 540
File Description: ii, 22, xvi
Relation: 000000166896; https://hdl.handle.net/10371/177543; https://dcollection.snu.ac.kr/common/orgView/000000166896; I804:11032-000000166896; 000000000046▲000000000053▲000000166896▲
Availability:
https://hdl.handle.net/10371/177543
https://dcollection.snu.ac.kr/common/orgView/000000166896
Authors: 김동현
Contributors: 이원보, Dong Hyun Kim, 공과대학 화학생물공학부
Subject Terms: Density Functional Theory, ReaxFF Reactive Force Field, Force Field Parametrization, Multi-Scale Modelling, Etching Process, Li-S Battery, 660.6
File Description: xi, 116
Relation: 000000168210; https://hdl.handle.net/10371/177542; https://dcollection.snu.ac.kr/common/orgView/000000168210; I804:11032-000000168210; 000000000046▲000000000053▲000000168210▲
Availability:
https://hdl.handle.net/10371/177542
https://dcollection.snu.ac.kr/common/orgView/000000168210
Authors: Kim, Jiheon, Yoo, Ji Mun, Lee, Hyeon Seok, Sung, Yung-Eun, Hyeon, Taeghwan
Contributors: Sung, Yung-Eun, Hyeon, Taeghwan
Subject Terms: DENSITY-FUNCTIONAL THEORY, IRON-BASED CATALYSTS, MEMBRANE FUEL-CELLS, ACTIVE-SITES, FE/N/C-CATALYSTS, CATHODE CATALYSTS, PERFORMANCE, CARBON, ORR, DESIGN, electrocatalyst, M–N–C catalyst, oxygen reduction reaction, proton-exchange membrane fuel-cell, single-atom catalyst
Relation: Trends in Chemistry, Vol.3 No.9, pp.779-794; https://hdl.handle.net/10371/189562; 000691346800010; 2-s2.0-85108262772; 141798
Authors: 이미소
Contributors: 한승우, 공과대학 재료공학부
Subject Terms: density functional theory, p-type semiconductors, high-throughput screening, amorphous semiconductor, high mobility, 620.1
Relation: 000000162119; http://hdl.handle.net/10371/169227; http://dcollection.snu.ac.kr/common/orgView/000000162119; I804:11032-000000162119; 000000000043▲000000000048▲000000162119▲
Availability:
http://hdl.handle.net/10371/169227
http://dcollection.snu.ac.kr/common/orgView/000000162119
Authors: 이동헌
Contributors: 한승우, 공과대학 재료공학부
Subject Terms: Phase change materials, Density functional theory, Neural network potential, Molecular dynamics, Crystallization, 상변화 물질, 인공신경망 퍼텐셜, 결정화 거동, 620.1
Relation: 000000163184; http://hdl.handle.net/10371/169214; http://dcollection.snu.ac.kr/common/orgView/000000163184; I804:11032-000000163184; 000000000043▲000000000048▲000000163184▲
Availability:
http://hdl.handle.net/10371/169214
http://dcollection.snu.ac.kr/common/orgView/000000163184
Authors: 김규환
Contributors: 제원호, 자연과학대학 물리·천문학부
Subject Terms: Surface Tension, Water Nanodroplet, Molecular Dynamics, Tolman Length, Gibbs-Tolman-Koenig-Buff Equation, Density Functional Theory, 523.01
Relation: 000000156763; https://hdl.handle.net/10371/162359; http://dcollection.snu.ac.kr/common/orgView/000000156763; I804:11032-000000156763; 000000000040▲000000000041▲000000156763▲
Availability:
https://hdl.handle.net/10371/162359
http://dcollection.snu.ac.kr/common/orgView/000000156763
Authors: 박재홍
Contributors: 황철성, Jaehong Park, 공과대학 재료공학부
Subject Terms: Two-dimensional material, molybdenum disulfide, density functional theory, interface, crystalline symmetry, valleytronics, 2D ferroelectrics, structure-property correlation, 620.1
Relation: 000000157530; https://hdl.handle.net/10371/161943; http://dcollection.snu.ac.kr/common/orgView/000000157530; I804:11032-000000157530; 000000000040▲000000000041▲000000157530▲
Availability:
https://hdl.handle.net/10371/161943
http://dcollection.snu.ac.kr/common/orgView/000000157530
Authors: Sangkoan Yi
Contributors: 조맹효, 이상관, 공과대학 기계항공공학부(멀티스케일 기계설계전공)
Subject Terms:
Time: 621
Relation: 000000157575; https://hdl.handle.net/10371/161923; http://dcollection.snu.ac.kr/common/orgView/000000157575; I804:11032-000000157575; 000000000040▲000000000041▲000000157575▲
Availability:
https://hdl.handle.net/10371/161923
http://dcollection.snu.ac.kr/common/orgView/000000157575