Scholarworks@UNIST: Browsing Repository

A 3-D bonding perspective of the factors influencing the relative stability of the S-1/S-0 conical intersections of the penta-2,4-dieniminium cation (PSB3) File

Bin, Xin , Momen, Roya , Xu, Tianlv , Kirk, Steven R. , Filatov, Michael , Jenkins, Samantha

Article Issue Date2019-06 View130

A combined first principles and experimental study on Na3V2(PO4)(2)F-3 for rechargeable Na batteries File

Shakoor, R. A. , Seo, Dong-Hwa , Kim, Hyungsub , Park, Young-Uk , Kim, Jongsoon , Kim, Sung-Wook , Gwon, Hyeokjo , Lee, Seongsu , Kang, Kisuk

Article Issue Date2012-20 View153

A Combined NRVS and DFT Study of Fe-IV=O Model Complexes: A Diagnostic Method for the Elucidation of Non-Heme Iron Enzyme Intermediates File

Bell, Caleb B., III , Wong, Shaun D. , Xiao, Yuming , Klinker, Eric J. , Tenderholt, Adam L. , Smith, Matt C. , Rohde, Jan-Uwe , Que, Lawrence, Jr. , Cramer, Stephen P. , Solomon, Edward I.

Article Issue Date2008-11 View197

A QTAIM and stress tensor investigation of the torsion path of a light-driven fluorene molecular rotary motor File

Hu, Ming Xing , Xu, Tianlv , Momen, Roya , Huan, Guo , Kirk, Steven R. , Jenkins, Samantha , Filatov, Mechael

Article Issue Date2016-11 View163

A structural, morphological, linear, and nonlinear optical spectroscopic studies of nanostructured Al-doped ZnO thin films: An effect of Al concentrations File

Arif, Mohd , Shkir, Mohd , Alfaify, Salem , Ganesh, Vanga , Sanger, Amit , Algarni, Haned , Vilarinho, Paula M. , Singh, Arun

Article Issue Date2019-04 View209

Accelerated discovery of OER catalysts in Pnma perovskites via machine learning with minimal DFT structure relaxation File

Kim, Chanseok , Yoon, Mina , Lee, Jun Hee

Article Issue Date2026-01 View36

Adapting N-Heterocyclic Carbene/Azide Coupling Chemistry for Polymer Synthesis: Enabling Access to Aromatic Polytriazenes File

Coady, Daniel J. , Khramov, Dimitri M. , Norris, Brent C. , Tennyson, Andrew G. , Bielawski, Christopher W.

Article Issue Date2009 View117

Advances in bis(N-heterocyclic carbene) chemistry: new classes of structurally dynamic materials File

Neilson, Bethany M. , Tennyson, Andrew G. , Bielawski, Christopher W.

Article Issue Date2012-07 View127

Advances in the Colloidal Synthesis of Two-Dimensional Semiconductor Nanoribbons File

Yang, Jiwoong , Son, Jae Sung , Yu, Jung Ho , Joo, Jin , Hyeon, Taeghwan

Article Issue Date2013-04 View201

Amorphous Gallium Oxide as an Improved Host for Inorganic Light-Emitting Thin Film Semiconductor Fabricated at Room Temperature on Glass File

Watanabe, Naoto , Kim, Junghwan , Ide, Keisuke , Hiramatsu, Hidenori , Kumigashira, Hiroshi , Ueda, Shigenori , Hosono, Hideo , Kamiya, Toshio

Article Issue Date2017-05 View115

An insight into non-emissive excited states in conjugated polymers File

Hu, Zhongjian , Willard, Adam P. , Ono, Robert J. , Bielawski, Christopher W. , Rossky, Peter J. , Vanden Bout, David A.

Article Issue Date2015-09 View129

An oxygen reduction catalytic process through superoxo adsorption states on n-type doped h-BN: A first-principles study File

Shin, Dongbin , Thapa, Ranjit , Park, Noejung

Article Issue Date2015-06 View298

Antagonism between Spin-Orbit Coupling and Steric Effects Causes Anomalous Band Gap Evolution in the Perovskite Photovoltaic Materials CH3NH3Sn1-xPbxI3 File

Im, Jino , Stoumpos, Constantinos C. , Jin, Hosub , Freeman, Arthur J. , Kanatzidis, Mercouri G.

Article Issue Date2015-08 View201

Atomic-layer-deposited buffer layers for thin film solar cells using earth-abundant absorber materials: A review File

Sinha, Soumyadeep , Nandi, Dip K. , Kim, Soo-Hyun , Heo, Jaeyeong

Article Issue Date2018-03 View105

Band gap sensitivity of bromine adsorption at carbon nanotubes File

Park, Noejung , Miyamoto, Y , Lee, K , Choi, WI , Ihm, J , Yu, JJ , Han, SW

Article Issue Date2005-02 View135

Binder-Free Cu-In Alloy Nanoparticles Precursor and Their Phase Transformation to Chalcogenides for Solar Cell Applications File

Lim, Ye Seul , Jeong, Jeunghyun , Kim, Jin Young , Ko, Min Jae , Kim, Honggon , Kim, BongSoo , Jeong, Unyong , Lee, Doh-Kwon

Article Issue Date2013-06 View150

Bottom-Up Synthesized B3N3-Doped Amorphous Carbon Monolayer File File

Tomekce, Birce Sena , Calvi, Vladimir , Jaramillo, Diego , Kim, Hang Sik , Kim, Hyeongjoon , Poletto, Daniele , Wakchaure, Vivek Chandrakant , Barnes, Matthew David , Buscema, Michele , Melinte, Sorin , et al

Article Issue Date2026-01 View33

Calculating carbon nanotube-catalyst adhesion strengths File

Larsson, Peter , Larsson, J. Andreas , Ahuja, Rajeev , Ding, Feng , Yakobson, Boris I. , Duan, Haiming , Rosen, Arne , Bolton, Kim

Article Issue Date2007-03 View142

Calibrating transition-metal energy levels and oxygen bands in first-principles calculations: Accurate prediction of redox potentials and charge transfer in lithium transition-metal oxides File

Seo, Dong-Hwa , Urban, Alexander , Ceder, Gerbrand

Article Issue Date2015-09 View158

Chirality- and diameter-dependent reactivity of NO2 on carbon nanotube walls File

Seo, Kwanyong , Park, Kyung Ah , Kim, Changwook , Han, Seungwu , Kim, Bongsoo , Lee, Young Hee

Article Issue Date2005-11 View128

Combined First-Principle Calculations and Experimental Study on Multi-Component Olivine Cathode for Lithium Rechargeable Batteries File

Gwon, Hyeokjo , Seo, Dong-Hwa , Kim, Sung-Wook , Kim, Jongsoon , Kang, Kisuk

Article Issue Date2009-10 View154

Comparison of High-Spin and Low-Spin Nonheme Fe-III-OOH Complexes in O-O Bond Homolysis and H-Atom Abstraction Reactivities File

Liu, Lei V. , Hong, Seungwoo , Cho, Jaeheung , Nam, Wonwoo , Solomon, Edward I.

Article Issue Date2013-02 View141

Composition change-driven texturing and doping in solution-processed SnSe thermoelectric thin films File File

Heo, Seung Hwae , Jo, Seungki , Kim, Hyo Seok , Choi, Garam , Song, Jae Yong , Kang, Jun-Yun , Park, No-Jin , Ban, Hyeong Woo , Kim, Fredrick , Jeong, Hyewon , et al

Article Issue Date2019-02 View169

Computational understanding of Li-ion batteries File File

Urban, Alexander , Seo, Dong-Hwa , Ceder, Gerbrand

Article Issue Date2016-20 View141

Crossover between multipole Coulomb and Kubas interactions in hydrogen adsorption on metal-graphene complexes File

Kim, Gyubong , Jhi, Seung-Hoon , Lim, Seokho , Park, Noejung

Article Issue Date2009-04 View223

Current Status and Future of Organic-Inorganic Hybrid Perovskites for Photoelectrocatalysis Devices File

Kumar, Avneesh , Chang, Dong Wook , Baek, Jong-Beom

Article Issue Date2023-12 View118

Dimensionality-Controlled Insulator-Metal Transition and Correlated Metallic State in 5d Transition Metal Oxides Srn+1IrnO3n+1 (n=1, 2, and infinity) File

Moon, SJ , Jin, Hosub , Kim, KW , Choi, WS , Lee, YS , Yu, Jaejun , Cao, G , Sumi, A , Funakubo, H , Bernhard, C , et al

Article Issue Date2008-11 View118

Dynamics and structural changes of small water clusters on ionization File

Lee, Han Myoung , Kim, Kwang S.

Article Issue Date2013-07 View114

Edge functionalized graphene nanoribbons with tunable band edges for carrier transport interlayers in organic–inorganic perovskite solar cells File

Kim, Eun Mi , Javaid, Saqib , Park, Jong Hyeok , Lee, Geunsik

Article Issue Date2020-02 View148

Effects of sulfur substitution in amorphous InGaZnO4: optical properties and first-principles calculations File

Kim, Junghwan , Hiramatsu, Hidenori , Hosono, Hideo , Kamiya, Toshio

Article Issue Date2015-07 View103

Efficient CO Oxidation by 50-Facet Cu2O Nanocrystals Coated with CuO Nanoparticles File

Harzandi, Ahmad M. , Tiwari, Jitendra N. , Lee, Ho Sik , Jeon, Himchan , Cho, Woo Jong , Lee, Geunsik , Baik, Jaeyoon , Kwak, Ja Hun , Kim, Kwang S.

Article Issue Date2017-01 View116

Emergent CuWO4 Photoanodes for Solar Fuel Production: Recent Progress and Perspectives File File

Lee, Jin Uk , Kim, Jin Hyun , Lee, Jae Sung

Article Issue Date2023-11 View174

Exploring two-dimensional carbides as highly active catalysts for the oxygen reduction reaction: A density functional theory approach File

Guo, Hengquan , Kang, Sung Gu , Lee, Seung Geol

Article Issue Date2022-10 View168

Extremely Shallow Valence Band in Lanthanum Trihydride File

Yamasaki, Tomoyuki , Iimura, Soshi , Kim, Junghwan , Hosono, Hideo

Article Issue Date2023-01 View108

First-principles study of the effect of compressive strain on oxygen adsorption in Pd/Ni/Cu-alloy-core@Pd/Ir-alloy-shell catalysts File

De Lile, Jeffrey Roshan , Lee, So Young , Kim, Hyoung-Juhn , Pak, Chanho , Lee, Seung Geol

Article Issue Date2019-06 View127

Graphene Growth and Device Integration File

Colombo, Luigi , Wallace, Robert M. , Ruoff, Rodney S.

Article Issue Date2013-07 View90

Graphene Oxide Inserted Poly(N-Vinylcarbazole)/Vanadium Oxide Hole Transport Heterojunctions for High-Efficiency Quantum-Dot Light-Emitting Diodes File

Park, Young Ran , Choi, Kyoung Soon , Kim, Jong Chan , Seo, Young Soo , Kim, Soo Young , Kim, Yong-Jin , Choi, Won Kook , Jeong, Hu Young , Yang, Woo Seok , Hong, Young Joon

Article Issue Date2017-08 View156

Graphene oxide/N-methyl-2-pyrrolidone charge-transfer complexes for molecular detection File

Xin, Guoqing , Gong, Suhyun , Kim, Namhun , Kim, Jehyung , Hwang, Wontae , Nam, Jaewook , Cho, Yong-Hoon , Cho, Sung Min , Chae, Heeyeop

Article Issue Date2013-01 View157

Hf Deposition Stabilizes the Surface Chemistry of Perovskite Manganite Oxide File File

Bliem, Roland , Kim, Dongha , Wang, Jiayue , Crumlin, Ethan J. , Yildiz, Bilge

Article Issue Date2021-02 View3

High-performance oxygen reduction and evolution carbon catalysis: From mechanistic studies to device integration File

To, John W.F. , Ng, Jia Wei Desmond , Siahrostami, Samira , Koh, Ai Leen , Lee, Yangjin , Chen, Zhihua , Fong, Karan D. , Chen, Shucheng , He, Jiajun , Bae, Won-Gyu , et al

Article Issue Date2017-04 View185

High-valent nonheme iron. Two distinct iron(IV) species derived from a common iron(II) precursor File

Jensen, MP , Costas, M , Ho, RYN , Kaizer, J , Payeras, AMI , Munck, E , Que, L , Rohde, Jan-Uwe , Stubna, A

Article Issue Date2005-08 View136

Highly Stable Fe2+/Ti3+-Based Fluoride Cathode Enabling Low-Cost and High-Performance Na-Ion Batteries File

Kang, Jungmin , Ahn, Jinho , Park, Hyunyoung , Ko, Wonseok , Lee, Yongseok , Lee, Seokjin , Lee, Sangyeop , Jung, Sung-Kyun , Kim, Jongsoon

Article Issue Date2022-07 View136

Implications of the edge states for the band structure of armchair graphene nanoribbons File

Filatov, Michael , Pomogaeva, Anna , Min, Seung Kyu

Article Issue Date2025-04 View134

Importance of kink energy in calculating the formation energy of a graphene edge File

Lee, Wookhee , Hedman, Daniel , Dong, Jichen , Zhang, Leining , Lee, Zonghoon , Kim, Sung Youb , Ding, Feng

Article Issue Date2023-06 View176

Influence of Solvents on Catalytic C-H Bond Oxidation by a Copper(II)-Alkylperoxo Complex File

Lee, Yuri , Kim, Bohee , Kim, Seonghan , Ng, Elvis Wang Hei , Ariyasu, Shinya , Shoji, Osami , Yoon, Sungho , Hirao, Hajime , Cho, Jaeheung

Article Issue Date2024-03 View180

Interaction and ordering of vacancy defects in NiO File

Park, Sohee , Ahn, Hyo-Shin , Lee, Choong-Ki , Kim, Hanchul , Jin, Hosub , Lee, Hyo-Sug , Seo, Sunae , Yu, Jaejun , Han, Seungwu

Article Issue Date2008-04 View174

Intrinsic Instability of Inorganic–Organic Hybrid Halide Perovskite Materials File

Park, Byung-Wook , Seok, Sang Il

Article Issue Date2019-05 View123

Investigation of atomic layer deposited beryllium oxide material properties for high-k dielectric applications File

Koh, Donghyi , Yum, Jung-Hwan , Banerjee, Sanjay K. , Hudnall, Todd W. , Bielawski, Christopher , Lanford, William A. , French, Benjamin L. , French, Marc , Henry, Patrick , Li, Han , et al

Article Issue Date2014-05 View81

Jahn-Teller driven perpendicular magnetocrystalline anisotropy in metastable ruthenium File

Odkhuu, Dorj , Rhim, S. H. , Park, Noejung , Nakamura, Kohji , Hong, Soon Cheol

Article Issue Date2015-01 View139

Length dependence of frontier orbital alignment in aromatic molecular junctions File

Tan, Aaron , Balachandran, Janakiraman , Dunietz, Barry D. , Jang, Sung-Yeon , Gavini, Vikram , Reddy, Pramod

Article Issue Date2012-12 View90

Magnetic, elastic and optical properties of zinc peroxide (ZnO2): First principles study File

Thapa, Ranjit , Ghosh, Saurabh , Sinthika, S. , Kumar, E. Mathan , Park, Noejung

Article Issue Date2015-01 View177

Mechanical Properties of Mono layer Graphene Oxide File

Suk, Ji Won , Piner, Richard D. , An, Jinho , Ruoff, Rodney S.

Article Issue Date2010-11 View103

Metal-to-metal charge transfer for stabilizing high-voltage redox in lithium-rich layered oxide cathodes File

Kim, Min-Ho , Jang, Haeseong , Lee, Eunryeol , Seo, Jeongwoo , Park, Jaehyun , Choi, Ahreum , Kim, Taewon , Choi, Myeongjun , Kim, Euna , Jung, Yeong Hwa , et al

Article Issue Date2025-02 View133

Microscopic nature of mobile fluoride anions on sp2 carbon surfaces File

Shin, Dongbin , Jung, Hyun , Han, Sang Soo , Choi, Cheol Ho , Lee, Hosik , Park, Noejung

Article Issue Date2013-05 View155

Monolithic graphene oxide sheets with controllable composition File

Chu, Jae Hwan , Kwak, Jinsung , Kim, Sung-Dae , Lee, Mi Jin , Kim, Jong Jin , Park, Soon-Dong , Choi, Jae-Kyung , Ryu, Gyeong Hee , Park, Kibog , Kim, Sung Youb , et al

Article Issue Date2014-02 View126

Mononuclear nickel(II)-superoxo and nickel(III)-peroxo complexes bearing a common macrocyclic TMC ligand File

Cho, Jaeheung , Kang, Hye Yeon , Liu, Lei V. , Sarangi, Ritimukta , Solomon, Edward I. , Nam, Wonwoo

Article Issue Date2013-03 View103

Multicomponent Olivine Cathode for Lithium Rechargeable Batteries: A First-Principles Study File

Seo, Dong-Hwa , Gwon, Hyeokjo , Kim, Sung-Wook , Kim, Jongsoon , Kang, Kisuk

Article Issue Date2010-01 View118

N-doped double-walled carbon nanotubes synthesized by chemical vapor deposition File

Kim, Shin Young , Lee, Jinyoung , Na, Chan Woong , Park, Jeunghee , Seo, Kwanyong , Kim, Bongsoo

Article Issue Date2005-09 View120

N-heterocyclic carbene-transition metal complexes: Spectroscopic and crystallographic analyses of pi-back-bonding interactions File

Khramov, Dirnitri M. , Lynch, Vincent M. , Bielawski, Christopher W.

Article Issue Date2007-11 View127

Next-generation quantum theory of atoms in molecules for the ground and excited state of DHCL File

Tian, Tian , Xu, Tianlv , Kirk, Steven R. , Filatov, Michael , Jenkins, Samantha

Article Issue Date2019-02 View92

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