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Keith G. Ray
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A combined experimental-computational study on the effect of topology on carbon dioxide adsorption in zeolitic imidazolate frameworks
W Morris, N He, KG Ray, P Klonowski, H Furukawa, IN Daniels, ...
The Journal of Physical Chemistry C 116 (45), 24084-24090, 2012
1542012
Probing nanoscale solids at thermal extremes
GE Begtrup, KG Ray, BM Kessler, TD Yuzvinsky, H Garcia, A Zettl
Physical review letters 99 (15), 155901, 2007
1302007
A combined experimental–computational investigation of methane adsorption and selectivity in a series of isoreticular zeolitic imidazolate frameworks
Y Houndonougbo, C Signer, N He, W Morris, H Furukawa, KG Ray, ...
The Journal of Physical Chemistry C 117 (20), 10326-10335, 2013
932013
Structural and vibrational properties of α-MoO 3 from van der Waals corrected density functional theory calculations
H Ding, KG Ray, V Ozolins, M Asta
Physical Review B 85 (1), 012104, 2012
632012
Nanointerface-driven reversible hydrogen storage in the nanoconfined Li-NH system
BC Wood, V Stavila, N Poonyayant, TW Heo, KG Ray, LE Klebanoff, ...
Advanced Materials Interfaces 4 (SAND-2016-9601J; LLNL-JRNL-676756; LLNL …, 2017
392017
Phenyl/perfluorophenyl stacking interactions enhance structural order in two-dimensional covalent organic frameworks
WA Braunecker, KE Hurst, KG Ray, ZR Owczarczyk, MB Martinez, N Leick, ...
Crystal Growth & Design 18 (7), 4160-4166, 2018
362018
A Mechanistic Analysis of Phase Evolution and Hydrogen Storage Behavior in Nanocrystalline Mg(BH4)2 within Reduced Graphene Oxide
S Jeong, TW Heo, J Oktawiec, R Shi, SY Kang, JL White, A Schneemann, ...
ACS nano 14 (2), 1745-1756, 2020
322020
Extreme thermal stability of carbon nanotubes
GE Begtrup, KG Ray, BM Kessler, TD Yuzvinsky, H Garcia, A Zettl
physica status solidi (b) 244 (11), 3960-3963, 2007
322007
Gas membrane selectivity enabled by zeolitic imidazolate framework electrostatics
KG Ray, DL Olmsted, JMR Burton, Y Houndonougbo, BB Laird, M Asta
Chemistry of Materials 26 (13), 3976-3985, 2014
312014
Elucidating the mechanism of MgB 2 initial hydrogenation via a combined experimental–theoretical study
KG Ray, LE Klebanoff, JRI Lee, V Stavila, TW Heo, P Shea, AA Baker, ...
Physical Chemistry Chemical Physics 19 (34), 22646-22658, 2017
282017
van der Waals density functional study of CO 2 binding in zeolitic imidazolate frameworks
KG Ray, D Olmsted, N He, Y Houndonougbo, BB Laird, M Asta
Physical Review B 85 (8), 085410, 2012
272012
Origins of CH4/CO2 Adsorption Selectivity in Zeolitic Imidazolate Frameworks: A van der Waals Density Functional Study
KG Ray, DL Olmsted, Y Houndonougbo, BB Laird, M Asta
The Journal of Physical Chemistry C 117 (28), 14642-14651, 2013
252013
A density-functional theory study of the Al/AlOx/Al tunnel junction
CE Kim, KG Ray, V Lordi
Journal of applied physics 128 (15), 2020
222020
Nanoscale Mg–B via Surfactant Ball Milling of MgB2: Morphology, Composition, and Improved Hydrogen Storage Properties
YS Liu, KG Ray, M Jørgensen, TM Mattox, DF Cowgill, HV Eshelman, ...
The Journal of Physical Chemistry C 124 (39), 21761-21771, 2020
202020
Spontaneous dynamical disordering of borophenes in MgB2 and related metal borides
S Li, H Gunda, KG Ray, CS Wong, P Xiao, RW Friddle, YS Liu, SY Kang, ...
Nature Communications 12 (1), 6268, 2021
172021
Assessing the reactivity of TiCl3 and TiF3 with hydrogen
S Kang, LE Klebanoff, AA Baker, DF Cowgill, V Stavila, JRI Lee, ...
international journal of hydrogen energy 43 (31), 14507-14519, 2018
162018
Magnetic stability of oxygen defects on the SiO2 surface
N Adelstein, D Lee, JL DuBois, KG Ray, JB Varley, V Lordi
AIP Advances 7 (2), 2017
132017
Electronic structure and surface properties of (0001) upon oxygen adsorption
CE Kim, KG Ray, DF Bahr, V Lordi
Physical Review B 97 (19), 195416, 2018
122018
Investigating possible kinetic limitations to MgB2 hydrogenation
YS Liu, LE Klebanoff, P Wijeratne, DF Cowgill, V Stavila, TW Heo, S Kang, ...
International Journal of Hydrogen Energy 44 (59), 31239-31256, 2019
112019
Van Der Waals-corrected density functional study of electric field noise heating in ion traps caused by electrode surface adsorbates
KG Ray, BM Rubenstein, W Gu, V Lordi
New Journal of Physics 21 (5), 053043, 2019
112019
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