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Paul Winget
Researcher at Georgia Institute of Technology
Publications - 49
Citations - 3894
Paul Winget is an academic researcher from Georgia Institute of Technology. The author has contributed to research in topics: Density functional theory & Solvation. The author has an hindex of 25, co-authored 43 publications receiving 3491 citations. Previous affiliations of Paul Winget include University of Erlangen-Nuremberg & University of Minnesota.
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Journal ArticleDOI
Spectroscopy and control of near-surface defects in conductive thin film ZnO.
Leah L. Kelly,David A. Racke,Philip Schulz,Philip Schulz,Hong Li,Paul Winget,Hyungchul Kim,Paul F. Ndione,Ajaya K. Sigdel,Jean-Luc Brédas,Joseph J. Berry,Samuel Graham,Oliver L.A. Monti +12 more
TL;DR: This work reports on the direct spectroscopic detection of a donor state within the band gap of highly conductive zinc oxide by two-photon photoemission spectroscopy, and shows that adsorption of the prototypical organic acceptor C60 quenches this state by ground-state charge transfer, with immediate consequences on the interfacial energy level alignment.
Journal ArticleDOI
MIDIX basis set for the lithium atom: Accurate geometries and atomic partial charges for lithium compounds with minimal computational cost
TL;DR: In this paper, a MIDI! basis set for Li is presented, which is a heteroatom-polarized split-valence basis set in which the polarization functions are optimized in order to predict realistic molecular geometries and atomic partial charges.
Journal ArticleDOI
Surface modification of indium-tin-oxide via self-assembly of a donor-acceptor complex: a density functional theory study.
TL;DR: The authors study at the density-functional theory level the modification of the electronic structure of the ITO surface upon self-assembly of a monolayer of t-butyl carbazole-substituted phosphonic acid molecules and subsequent p-doping to point to the existence of two channels for charge transfer.
DatasetDOI
Minnesota Solvation Database (MNSOL) version 2012
Aleksandr V. Marenich,Casey P. Kelly,Jason D. Thompson,Gregory D. Hawkins,Candee C. Chambers,David J. Giesen,Paul Winget,Christopher J. Cramer,Donald G. Truhlar +8 more
TL;DR: The Minnesota Solvation Database and User Manual (MNSolDatabase-v2012) as discussed by the authors is available for download as a.zip file named MNSolDB-v 2012.
Journal ArticleDOI
Electronic Structure of the Perylene-Zinc Oxide Interface: Computational Study of Photoinduced Electron Transfer and Impact of Surface Defects
TL;DR: In this paper, the electronic properties of perylene chromophores chemisorbed on zinc oxide via different spacer-anchor groups were studied at the density-functional-theory level.