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Sara E. Mason
Sara E. Mason
Brookhaven National Laboratory, University of Iowa
Email verificata su bnl.gov - Home page
Titolo
Citata da
Citata da
Anno
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
2702004
Structure and Polarization in the High Ferroelectric Solid Solutions
I Grinberg, MR Suchomel, W Dmowski, SE Mason, H Wu, PK Davies, ...
Physical review letters 98 (10), 107601, 2007
1712007
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
1302020
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
1232009
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
1162016
Density functional theory study of clean, hydrated, and defective alumina surfaces
SE Mason, CR Iceman, TP Trainor, AM Chaka
Physical Review B—Condensed Matter and Materials Physics 81 (12), 125423, 2010
762010
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
712018
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
692016
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
612006
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
512017
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
482019
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
482017
DFT and thermodynamics calculations of surface cation release in LiCoO2
A Abbaspour-Tamijani, JW Bennett, DT Jones, N Cartagena-Gonzalez, ...
Applied Surface Science 515, 145865, 2020
472020
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
472019
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
472018
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
452018
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
452011
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
392008
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
362018
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
342012
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