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Sara E. Mason
Sara E. Mason
Brookhaven National Laboratory, University of Iowa
Verified email at uiowa.edu - Homepage
Title
Cited by
Cited by
Year
First-principles extrapolation method for accurate CO adsorption energies on metal surfaces
SE Mason, I Grinberg, AM Rappe
Physical Review B 69 (16), 161401, 2004
2552004
Structure and Polarization in the High T c Ferroelectric Bi (Zn, Ti) O 3− PbTiO 3 Solid Solutions
I Grinberg, MR Suchomel, W Dmowski, SE Mason, H Wu, PK Davies, ...
Physical review letters 98 (10), 107601, 2007
1582007
Pb (II) adsorption on isostructural hydrated alumina and hematite (0001) surfaces: A DFT study
SE Mason, CR Iceman, KS Tanwar, TP Trainor, AM Chaka
The Journal of Physical Chemistry C 113 (6), 2159-2170, 2009
1152009
Surface-Specific DFT + U Approach Applied to α-Fe2O3(0001)
X Huang, SK Ramadugu, SE Mason
The Journal of Physical Chemistry C 120 (9), 4919-4930, 2016
922016
Advanced material modulation of nutritional and phytohormone status alleviates damage from soybean sudden death syndrome
C Ma, J Borgatta, BG Hudson, AA Tamijani, R De La Torre-Roche, ...
Nature nanotechnology 15 (12), 1033-1042, 2020
652020
Density functional theory study of clean, hydrated, and defective alumina (1 1 02) surfaces
SE Mason, CR Iceman, TP Trainor, AM Chaka
Physical Review B 81 (12), 125423, 2010
632010
Sustainable nanotechnology: opportunities and challenges for theoretical/computational studies
Q Cui, R Hernandez, SE Mason, T Frauenheim, JA Pedersen, F Geiger
The Journal of Physical Chemistry B 120 (30), 7297-7306, 2016
572016
Adsorbate− Adsorbate Interactions and Chemisorption at Different Coverages Studied by Accurate ab initio Calculations: CO on Transition Metal Surfaces
SE Mason, I Grinberg, AM Rappe
The Journal of Physical Chemistry B 110 (8), 3816-3822, 2006
512006
Dissolution of Complex Metal Oxides from First-Principles and Thermodynamics: Cation Removal from the (001) Surface of Li(Ni1/3Mn1/3Co1/3)O2
JW Bennett, D Jones, X Huang, RJ Hamers, SE Mason
Environmental science & technology 52 (10), 5792-5802, 2018
492018
Hybridization-reactivity relationship in Pb(II) adsorption on α-Al2O3-water interfaces: A DFT Study
SE Mason, TP Trainor, AM Chaka
The Journal of Physical Chemistry C 115 (10), 4008-4021, 2011
402011
Orbital-specific analysis of CO chemisorption on transition-metal surfaces
SE Mason, I Grinberg, AM Rappe
The Journal of Physical Chemistry C 112 (6), 1963-1966, 2008
372008
Ab Initio Atomistic Thermodynamics Study of the (001) Surface of LiCoO2 in a Water Environment and Implications for Reactivity under Ambient Conditions
X Huang, JW Bennett, MN Hang, ED Laudadio, RJ Hamers, SE Mason
The Journal of Physical Chemistry C 121 (9), 5069-5080, 2017
342017
Influence of nickel manganese cobalt oxide nanoparticle composition on toxicity toward Shewanella oneidensis MR-1: redesigning for reduced biological impact
IL Gunsolus, MN Hang, NV Hudson-Smith, JT Buchman, JW Bennett, ...
Environmental Science: Nano 4 (3), 636-646, 2017
332017
Molecular surface functionalization of carbon materials via radical-induced grafting of terminal alkenes
Y Zhang, AA Tamijani, ME Taylor, B Zhi, CL Haynes, SE Mason, ...
Journal of the American Chemical Society 141 (20), 8277-8288, 2019
322019
First-principles and thermodynamics study of compositionally tuned complex metal oxides: cation release from the (001) surface of Mn-rich lithium nickel manganese cobalt oxide
JW Bennett, DT Jones, RJ Hamers, SE Mason
Inorganic chemistry 57 (21), 13300-13311, 2018
302018
Comparative DFT study of inner-sphere As (III) complexes on hydrated α-Fe 2 O 3 (0001) surface models
CJ Goffinet, SE Mason
Journal of environmental monitoring 14 (7), 1860-1871, 2012
292012
A systematic determination of hubbard U using the GBRV ultrasoft pseudopotential set
JW Bennett, BG Hudson, IK Metz, D Liang, S Spurgeon, Q Cui, SE Mason
Computational Materials Science 170, 109137, 2019
282019
α-Fe2O3 Nanoparticles as Oxygen Carriers for Chemical Looping Combustion: An Integrated Materials Characterization Approach to Understanding Oxygen …
HA Alalwan, SE Mason, VH Grassian, DM Cwiertny
Energy & fuels 32 (7), 7959-7970, 2018
282018
Contaminant adsorption on nanoscale particles: structural and theoretical characterization of Cu2+ bonding on the surface of Keggin-type polyaluminum (Al30) molecular species
S Abeysinghe, KW Corum, DL Neff, SE Mason, TZ Forbes
Langmuir 29 (46), 14124-14134, 2013
282013
Impact of phosphate adsorption on complex cobalt oxide nanoparticle dispersibility in aqueous media
ED Laudadio, JW Bennett, CM Green, SE Mason, RJ Hamers
Environmental science & technology 52 (17), 10186-10195, 2018
272018
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