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 532 (7600), 435-437, 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
Rejection of organic micropollutants (disinfection by-products, endocrine disrupting compounds, and pharmaceutically active compounds) by NF/RO membranes
K Kimura, G Amy, JE Drewes, T Heberer, TU Kim, Y Watanabe
Journal of membrane science 227 (1-2), 113-121, 2003
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
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
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
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
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
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
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
Quantum sieving in carbon nanotubes and zeolites
Q Wang, SR Challa, DS Sholl, JK Johnson
Physical Review Letters 82 (5), 956, 1999
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
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
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
Transport diffusivities of CH4, CF4, He, Ne, Ar, Xe, and SF6 in silicalite from atomistic simulations
AI Skoulidas, DS Sholl
The Journal of Physical Chemistry B 106 (19), 5058-5067, 2002
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