David S. Sholl
David S. Sholl
School Chair, Michael Tennenbaum Family Chair and GRA Eminent Scholar in Energy Sustainability, Georgia Institute of Technology
在 chbe.gatech.edu 的電子郵件地址已通過驗證 - 首頁
Density functional theory: a practical introduction
D Sholl, JA Steckel
John Wiley & Sons, 2011
Seven chemical separations to change the world
DS Sholl, RP Lively
Nature News 532 (7600), 435, 2016
TCE dechlorination rates, pathways, and efficiency of nanoscale iron particles with different properties
Y Liu, SA Majetich, RD Tilton, DS Sholl, GV Lowry
Environmental science & technology 39 (5), 1338-1345, 2005
Rapid transport of gases in carbon nanotubes
AI Skoulidas, DM Ackerman, JK Johnson, DS Sholl
Physical review letters 89 (18), 185901, 2002
Can metal–organic framework materials play a useful role in large‐scale carbon dioxide separations?
S Keskin, TM van Heest, DS Sholl
ChemSusChem 3 (8), 879-891, 2010
Self-diffusion and transport diffusion of light gases in metal-organic framework materials assessed using molecular dynamics simulations
AI Skoulidas, DS Sholl
The Journal of Physical Chemistry B 109 (33), 15760-15768, 2005
Chiral selection on inorganic crystalline surfaces
RM Hazen, DS Sholl
Nature materials 2 (6), 367-374, 2003
Computation-ready, experimental metal–organic frameworks: A tool to enable high-throughput screening of nanoporous crystals
YG Chung, J Camp, M Haranczyk, BJ Sikora, W Bury, V Krungleviciute, ...
Chemistry of Materials 26 (21), 6185-6192, 2014
Nanoscale design to enable the revolution in renewable energy
J Baxter, Z Bian, G Chen, D Danielson, MS Dresselhaus, AG Fedorov, ...
Energy & Environmental Science 2 (6), 559-588, 2009
Chemically meaningful atomic charges that reproduce the electrostatic potential in periodic and nonperiodic materials
TA Manz, DS Sholl
Journal of Chemical Theory and Computation 6 (8), 2455-2468, 2010
Progress, opportunities, and challenges for applying atomically detailed modeling to molecular adsorption and transport in metal− organic framework materials
S Keskin, J Liu, RB Rankin, JK Johnson, DS Sholl
Industrial & Engineering Chemistry Research 48 (5), 2355-2371, 2009
Ultem®/ZIF-8 mixed matrix hollow fiber membranes for CO2/N2 separations
Y Dai, JR Johnson, O Karvan, DS Sholl, WJ Koros
Journal of Membrane Science 401, 76-82, 2012
Identification of destabilized metal hydrides for hydrogen storage using first principles calculations
SV Alapati, JK Johnson, DS Sholl
The Journal of Physical Chemistry B 110 (17), 8769-8776, 2006
Quantum sieving in carbon nanotubes and zeolites
Q Wang, SR Challa, DS Sholl, JK Johnson
Physical Review Letters 82 (5), 956, 1999
The materials genome in action: identifying the performance limits for methane storage
CM Simon, J Kim, DA Gomez-Gualdron, JS Camp, YG Chung, RL Martin, ...
Energy & Environmental Science 8 (4), 1190-1199, 2015
Efficient calculation of diffusion limitations in metal organic framework materials: a tool for identifying materials for kinetic separations
E Haldoupis, S Nair, DS Sholl
Journal of the American Chemical Society 132 (21), 7528-7539, 2010
Prediction of hydrogen flux through sulfur-tolerant binary alloy membranes
P Kamakoti, BD Morreale, MV Ciocco, BH Howard, RP Killmeyer, ...
Science 307 (5709), 569-573, 2005
Exploring the framework hydrophobicity and flexibility of ZIF-8: from biofuel recovery to hydrocarbon separations
K Zhang, RP Lively, C Zhang, RR Chance, WJ Koros, DS Sholl, S Nair
The Journal of Physical Chemistry Letters 4 (21), 3618-3622, 2013
Scalable fabrication of carbon nanotube/polymer nanocomposite membranes for high flux gas transport
S Kim, JR Jinschek, H Chen, DS Sholl, E Marand
Nano letters 7 (9), 2806-2811, 2007
Making high-flux membranes with carbon nanotubes
DS Sholl, JK Johnson
Science 312 (5776), 1003-1004, 2006
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