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1st–Principles
Nano-Devices Lab
Representative Articles
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Presentation
Representative Articles
Articles&Patent
Presentation
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2017
51
Understanding Oxidation Mechanism of MoS2 Slab and Ribbon: Frist Principles Calculations
Muhammad Sufyan Ramzan, 최지일, 김용훈
한국물리학회 2016년 가을 학술논문발표회
,
2017
.
10.20
50
Towards Reality in Modeling of Nano-scale Contacts
김용훈
10th International Conference on Computational Physics
,
2017
.
01.
49
Density functional theory studies of TiO2 for photocatalysis and Li storage applications
김용훈, 최지일, 이동기, 이규헌, 강중구
APS March Meeting 2017
,
2017
.
03.15
48
Development of a multi-space constrained density functional theory for non-equilibrium quantum transport simulations
김한슬, 김용훈
APS March Meeting 2017
,
2017
.
03.15
47
Atomistics of Polyacrylonitrile-Carbon Nanotube Interfaces for Next-Generation Carbon Fibers: A Multiscale Computational study
이주호, 김용훈, 장승순, 최지일, Cho Art E
APS March Meeting 2017
,
2017
.
03.16
46
Effects of the length of linkers for metal-azobenzene-metal junction and relation between linker and ON/OFF ratio
여현우, 김용훈
제6회 첨단 사이언스 교육 허브 개발(EDISON) SW 활용 경진대회
,
2017
.
03.24
45
제 1원리를 이용한 CdZnS양자막대의 쉘 성장 메커니즘 연구
김용훈, 변성재
제6회 첨단 사이언스 교육 허브 개발(EDISON) SW 활용 경진대회
,
2017
.
03.24
44
Development of magnetism in armchair graphene nanoribbons with edge functionalizations: A first-principles study
신동재, 김용훈
제6회 첨단 사이언스 교육 허브 개발(EDISON) SW 활용 경진대회
,
2017
.
03.24
43
Electrical and transport properties of carbon chains encapsulated within CNT
김용훈, 김태형
제6회 첨단 사이언스 교육 허브 개발(EDISON) SW 활용 경진대회
,
2017
.
03.24
42
Effect of self-interaction error in band-edge of low-dimensional materials with lone pair electrons
Lamjed Debbichi, 김용훈
한국물리학회 2017년 봄 학술논문발표회
,
2017
.
04.19
41
Atomic self-interaction correction calculations of transition metal dichalcogenides multilayers and heterostructures
김효석, 김용훈, 심윤수
한국물리학회 2017년 봄 학술논문발표회
,
2017
.
04.20
40
Stabilization of Edge states of zigzag graphene nanoribbon through Silicon passivation
신동재, 김용훈, 이주호
한국물리학회 2017년 봄 학술논문발표회
,
2017
.
04.20
39
Electrical and transport properties of carbon chains encapsulated within CNT
김용훈, 김태형, 김후성
한국물리학회 2017년 봄 학술논문발표회
,
2017
.
04.20
38
Development of an effective mass approximation approach based on first-principles data for the design of quantum nanostructures
Muhammad Ejaz Khan, 김용훈, 김효석
한국물리학회 2017년 봄 학술논문발표회
,
2017
.
04.20
37
Development of magnetism in armchair graphene nanoribbons with edge functionalizations: A first-principles study
신동재, 김용훈, 이주호
한국물리학회 2017년 봄 학술논문발표회
,
2017
.
04.20
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