Showing results 1 to 19 of 19
Ab initio calculations predicting the existence of an oxidized calcium dihydrogen complex to store molecular hydrogen in densities up to 100 g/L Kim, Yong-Hyun; Sun, YY; Zhang, SB, PHYSICAL REVIEW B, v.79, no.11, 2009-03 |
Ab initio design of Ca-decorated organic frameworks for high capacity molecular hydrogen storage with enhanced binding Sun, YY; Lee, K; Kim, Yong-Hyun; Zhang, SB, APPLIED PHYSICS LETTERS, v.95, no.3, 2009-07 |
Accuracy of density functional theory methods for weakly bonded systems: The case of dihydrogen binding on metal centers Sun, YY; Lee, K; Wang, L; Kim, Yong-Hyun; Chen, W; Chen, ZF; Zhang, SB, PHYSICAL REVIEW B, v.82, no.7, 2010-08 |
Accurate and efficient calculation of van der Waals interactions within density functional theory by local atomic potential approach Sun, YY; Kim, Yong-Hyun; Lee, K; Zhang, SB, JOURNAL OF CHEMICAL PHYSICS, v.129, no.15, 2008-10 |
Altering the spin state of transition metal centers in metal-organic frameworks by molecular hydrogen adsorption: a first-principles study Sun, YY; Kim, Yong-Hyun; Lee, K; West, D; Zhang, SB, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.13, no.11, pp.5042 - 5046, 2011-03 |
Cyclodextrin driven hydrophobic/hydrophilic transformation of semiconductor nanoparticles Feng, J; Ding, SY; Tucker, MP; Himmel, ME; Kim, Yong-Hyun; Zhang, SB; Keyes, BM; et al, APPLIED PHYSICS LETTERS, v.86, no.3, 2005-01 |
Dihydrogen bonding, p-type conductivity, and origin of change in work function of hydrogenated diamond (001) surfaces Kim, Yong-Hyun; Zhang, SB; Yu, Y; Xu, LF; Gu, CZ, PHYSICAL REVIEW B, v.74, no.7, 2006-08 |
Effect of spin state on the dihydrogen binding strength to transition metal centers in metal-organic frameworks Sun, YY; Kim, Yong-Hyun; Zhang, SB, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.129, no.42, pp.12606 - 12606, 2007-10 |
Enhanced dihydrogen adsorption in symmetry-lowered metal-porphyrin-containing frameworks Kim, Yong-Hyun; Sun, YY; Choi, WI; Kang, J; Zhang, SB, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.11, no.48, pp.11400 - 11403, 2009-12 |
First-principles prediction of icosahedral quantum dots for tetravalent semiconductors Zhao, YF; Kim, Yong-Hyun; Du, MH; Zhang, SB, PHYSICAL REVIEW LETTERS, v.93, no.1, 2004-07 |
Growing extremely thin bulklike metal film on a semiconductor surface: Monolayer Al(111) on Si(111) Jiang, Y; Kim, Yong-Hyun; Zhang, SB; Ebert, P; Yang, SY; Tang, Z; Wu, KH; et al, APPLIED PHYSICS LETTERS, v.91, no.18, 2007-10 |
Hydrogen storage in novel organometallic buckyballs Zhao, YF; Kim, Yong-Hyun; Dillon, AC; Heben, MJ; Zhang, SB, PHYSICAL REVIEW LETTERS, v.94, no.15, 2005-04 |
Nanotube wires on commensurate InAs surfaces: Binding energies, band alignments, and bipolar doping by the surfaces Kim, Yong-Hyun; Heben, MJ; Zhang, SB, PHYSICAL REVIEW LETTERS, v.92, no.17, 2004-04 |
Novel organometallic fullerene complexes for vehicular hydrogen storage Dillon, AC; Whitney, E; Engtrakul, C; Curtis, CJ; O'Neill, KJ; Parilla, PA; Simpson, LJ; et al, PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, v.244, no.11, pp.4319 - 4322, 2007-11 |
Reversible Lithium-Ion Insertion in Molybdenum Oxide Nanoparticles Lee, SH; Kim, Yong-Hyun; Deshpande, R; Parilla, PA; Whitney, E; Gillaspie, DT; Jones, KM; et al, ADVANCED MATERIALS, v.20, no.19, pp.3627 - 3627, 2008-10 |
Self-assembly of linear arrays of semiconductor nanoparticles on carbon single-walled nanotubes Engtrakul, C; Kim, Yong-Hyun; Nedeljkovic, JM; Ahrenkiel, SP; Gilbert, KEH; Alleman, JL; Zhang, SB; et al, JOURNAL OF PHYSICAL CHEMISTRY B, v.110, no.50, pp.25153 - 25157, 2006-12 |
Self-catalyzed hydrogenation and dihydrogen adsorption on titanium carbide nanoparticles Zhao, YF; Dillon, AC; Kim, Yong-Hyun; Heben, MJ; Zhang, SB, CHEMICAL PHYSICS LETTERS, v.425, no.4-6, pp.273 - 277, 2006-07 |
Tailoring graphene magnetism by zigzag triangular holes: A first-principles thermodynamics study Khan, Muhammad Ejaz; Zhang, P; Sun, Yi-Yang; Zhang, SB; Kim, Yong-Hyun, AIP ADVANCES, v.6, no.3, 2016-03 |
Wiring-up hydrogenase with single-walled carbon nanotubes McDonald, TJ; Svedruzic, D; Kim, Yong-Hyun; Blackburn, JL; Zhang, SB; King, PW; Heben, MJ, NANO LETTERS, v.7, no.11, pp.3528 - 3534, 2007-11 |
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