Electronic structure and insulating gap opening in epitaxial VO2 polymorphs
Shinbuhm Lee, Tricia L. Meyer, John Nichols, Dongkyu Lee, Changhee Sohn, Donghwa Lee, S. S. Ambrose Seo, John W. Freeland, Tae Won Noh, Ho Nyung Lee
APL Mater., 2015
52
Molecular to atomic phase transition in hydrogen under high pressure
Jeremy McMinis, Raymond C. Clay III, Donghwa Lee, Miguel A. Morales
Phys. Rev. Lett., 2015
53
Interfacial Effects on the Band Edges of Functionalized Si Surfaces in Liquid Water
Tuan Anh Pham, Donghwa Lee, Eric Schwegler, Giulia Galli
J. Am. Chem. Soc., 2014
54
Importance of Excitonic Effect in Charge Separation at Quantum-Dot/Organic Interface: First-Principles Many-Body Calculations
Donghwa Lee, Jonathan DuBois, Yosuke Kanai
Nano Lett., 2014
55
Exploring the Potential of Fulvalene dimetals as Platforms for Molecular Solar Thermal Energy Storage: Computations, Syntheses, Structures, Kinetics, and Catalysis
Karl Börjesson, Dušan Ćoso, Victor Gray, Jeffrey C. Grossman, Jingqi Guan, Charles B. Harris, Norbert Hertkorn, Zongrui Hou, Yosuke Kanai, Donghwa Lee et al.
Chem. Eur. J., 2014
56
Thermodynamics and Kinetics of Three Mg-H-VN complexes in Mg:GaN from Combined First-Principles Calculation and Experiment
Donghwa Lee*, B. Mitchell, Y. Fujiwara, V. Dierolf
Phys. Rev. Lett., 2014
57
Dependence of Water Dynamics on Molecular Adsorbates near Hydrophobic Surfaces: First-Principles Molecular Dynamics Study
Donghwa Lee, Eric Schwegler, Yosuke Kanai
J. Phys. Chem. C, 2014
58
Identification of the local sources of paramagnetic noise in superconducting qubit devices fabricated on α-Al2O3 substrates using density-functional calculations
Donghwa Lee*, Jonathan DuBois, Vincenzo Lordi
Phys. Rev. Lett., 2014
59
A Mechanism for TiO2 Formation on Stepped TiN (001) from First-Principles Calculations
Minki Hong, Donghwa Lee, Simon R. Phillpot, Susan B. Sinnott
J. Phys. Chem. C, 2014
60
Vibrationally induced center reconfiguration in co-doped GaN:Eu, Mg epitaxial layers: local hydrogen migration vs. activation of non-radiative channels
B. Mitchell, Donghwa Lee, D. Lee, Y. Fujiwara, V. Dierolf