| Year |
Citation |
Score |
| 2023 |
Zhang L, Kozhevnikov A, Schulthess T, Trickey SB, Cheng HP. All-electron APW+lo calculation of magnetic molecules with the SIRIUS domain-specific package. The Journal of Chemical Physics. 158. PMID 37326162 DOI: 10.1063/5.0139497 |
0.359 |
|
| 2019 |
Moura-Moreira M, Ferreira DFS, Liu S, Fry J, Del Nero J, Cheng HP. Molecular junction by tunneling in 1D and Quasi-1D systems. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 31295726 DOI: 10.1088/1361-648X/Ab315A |
0.354 |
|
| 2019 |
Zhang L, Staar P, Kozhevnikov A, Wang Y, Trinastic J, Schulthess T, Cheng H. DFT+DMFT
calculations of the complex band and tunneling behavior for the transition metal monoxides MnO, FeO, CoO, and NiO Physical Review B. 100. DOI: 10.1103/Physrevb.100.035104 |
0.741 |
|
| 2019 |
Li X, Wang Y, Fry JN, Zhang X, Cheng H. Tunneling field-effect junctions with WS2 barrier Journal of Physics and Chemistry of Solids. 128: 343-350. DOI: 10.1016/J.Jpcs.2017.12.005 |
0.334 |
|
| 2019 |
Liu S, Wang Y, Fry JN, Cheng H. Spin dependent resonant electron tunneling through planar graphene barriers Carbon. 144: 362-369. DOI: 10.1016/J.Carbon.2018.12.035 |
0.351 |
|
| 2017 |
Chen G, Li X, Wang Y, Fry JN, Cheng H. Two-dimensional lateral GaN/SiC heterostructures: First-principles studies of electronic and magnetic properties Physical Review B. 95. DOI: 10.1103/Physrevb.95.045302 |
0.315 |
|
| 2017 |
Billman CR, Trinastic JP, Davis DJ, Hamdan R, Cheng H. Origin of the second peak in the mechanical loss function of amorphous silica Physical Review B. 95. DOI: 10.1103/Physrevb.95.014109 |
0.72 |
|
| 2017 |
Wang Y, Li X, Zhang X, Christou G, Cheng H. Cation Substitution Effect on a Molecular Analogue of Perovskite Manganites The Journal of Physical Chemistry C. 121: 10893-10898. DOI: 10.1021/Acs.Jpcc.6B11965 |
0.331 |
|
| 2016 |
Billman CR, Wang Y, Cheng HP. Water adsorption on the LaMnO3 surface. The Journal of Chemical Physics. 144: 064701. PMID 26874497 DOI: 10.1063/1.4941581 |
0.75 |
|
| 2016 |
Chu IH, Trinastic JP, Wang YP, Eguiluz AG, Kozhevnikov A, Schulthess TC, Cheng HP. All-electron self-consistent GW in the Matsubara-time domain: Implementation and benchmarks of semiconductors and insulators Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.125210 |
0.74 |
|
| 2016 |
Trinastic JP, Hamdan R, Billman C, Cheng H. Molecular dynamics modeling of mechanical loss in amorphous tantala and titania-doped tantala Physical Review B. 93. DOI: 10.1103/Physrevb.93.014105 |
0.747 |
|
| 2015 |
Trinastic JP, Chu IH, Cheng HP. Manipulating the Phonon Bottleneck in Graphene Quantum Dots: Phonon-Induced Carrier Relaxation within the Linear Response Theory Journal of Physical Chemistry C. 119: 22357-22369. DOI: 10.1021/Acs.Jpcc.5B06885 |
0.741 |
|
| 2014 |
Wang YP, Han XF, Fry JN, Krause JL, Zhang XG, Cheng HP. Deposition of cobalt atoms onto Alq3 films: A molecular dynamics study Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.075311 |
0.527 |
|
| 2014 |
Trinastic JP, Cheng H. First-principles study of multicontrol graphene doping using light-switching molecules Physical Review B. 89. DOI: 10.1103/PhysRevB.89.245447 |
0.71 |
|
| 2014 |
Chu I, Trinastic J, Wang L, Cheng H. Using light-switching molecules to modulate charge mobility in a quantum dot array Physical Review B. 89. DOI: 10.1103/Physrevb.89.115415 |
0.742 |
|
| 2014 |
Berlijn T, Cheng HP, Hirschfeld PJ, Ku W. Doping effects of Se vacancies in monolayer FeSe Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.020501 |
0.524 |
|
| 2013 |
Trinastic JP, Hamdan R, Wu Y, Zhang L, Cheng HP. Unified interatomic potential and energy barrier distributions for amorphous oxides. The Journal of Chemical Physics. 139: 154506. PMID 24160526 DOI: 10.1063/1.4825197 |
0.728 |
|
| 2013 |
Trinastic JP, Wang Y, Cheng H. First-principles study of Co concentration and interfacial resonance states in Fe1−xCoxmagnetic tunnel junctions Physical Review B. 88. DOI: 10.1103/Physrevb.88.104408 |
0.724 |
|
| 2013 |
Chu IH, Kilin DS, Cheng HP. First-principles studies of photoinduced charge transfer in noncovalently functionalized carbon nanotubes Journal of Physical Chemistry C. 117: 17909-17918. DOI: 10.1021/Jp402600M |
0.388 |
|
| 2012 |
Wu YN, Schmidt M, Leygnier J, Cheng HP, Masson A, Bréchignac C. Adsorption of small molecules on silver clusters. The Journal of Chemical Physics. 136: 024314. PMID 22260586 DOI: 10.1063/1.3673616 |
0.334 |
|
| 2012 |
Wang Y, Cheng H. Electronic and transport properties of azobenzene monolayer junctions as molecular switches Physical Review B. 86. DOI: 10.1103/Physrevb.86.035444 |
0.362 |
|
| 2012 |
Srivastava MK, Wang Y, Kemper AF, Cheng HP. Density functional study of gold and iron clusters on perfect and defected graphene Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.165444 |
0.622 |
|
| 2012 |
Wang Y, Han X, Wu Y, Cheng H. Adsorption of tris(8-hydroxyquinoline)aluminum molecules on cobalt surfaces Physical Review B. 85. DOI: 10.1103/Physrevb.85.144430 |
0.381 |
|
| 2011 |
Chen YW, Cheng HP. Interaction between water and defective silica surfaces. The Journal of Chemical Physics. 134: 114703. PMID 21428652 DOI: 10.1063/1.3562365 |
0.652 |
|
| 2011 |
Chen Y, Chu I, Wang Y, Cheng H. Water thin film-silica interaction onα-quartz (0001) surfaces Physical Review B. 84. DOI: 10.1103/Physrevb.84.155444 |
0.311 |
|
| 2011 |
Cao C, Wang Y, Cheng H, Jiang J. Perfect spin-filtering and giant magnetoresistance with Fe-terminated graphene nanoribbon Applied Physics Letters. 99: 073110. DOI: 10.1063/1.3626596 |
0.517 |
|
| 2011 |
Chu I, Radulaski M, Vukmirovic N, Cheng H, Wang L. Charge Transport in a Quantum Dot Supercrystal The Journal of Physical Chemistry C. 115: 21409-21415. DOI: 10.1021/Jp206526S |
0.33 |
|
| 2010 |
Liu Y, Ren L, He Y, Cheng HP. Titanium-decorated graphene for high-capacity hydrogen storage studied by density functional simulations. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 445301. PMID 21403342 DOI: 10.1088/0953-8984/22/44/445301 |
0.342 |
|
| 2010 |
Li L, Wu YN, Cheng HP. First-principles calculations of Fe-doped monolayer C60 on h-BN/Ni(111) surface. The Journal of Chemical Physics. 132: 074702. PMID 20170239 DOI: 10.1063/1.3291080 |
0.359 |
|
| 2010 |
Wang Y, Cao C, Cheng H. Metal-terminated graphene nanoribbons Physical Review B. 82. DOI: 10.1103/Physrevb.82.205429 |
0.537 |
|
| 2010 |
Tang L, Zhang X, Guo Q, Wu Y, Wang L, Cheng H. Two bonding configurations for individually adsorbedC60molecules on Au(111) Physical Review B. 82. DOI: 10.1103/Physrevb.82.125414 |
0.472 |
|
| 2010 |
Graser S, Kemper AF, Maier TA, Cheng HP, Hirschfeld PJ, Scalapino DJ. Spin fluctuations and superconductivity in a three-dimensional tight-binding model for BaFe2As2 Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.214503 |
0.723 |
|
| 2010 |
Cao C, Wu M, Jiang J, Cheng H. Transition metal adatom and dimer adsorbed on graphene: Induced magnetization and electronic structures Physical Review B. 81. DOI: 10.1103/Physrevb.81.205424 |
0.538 |
|
| 2010 |
Kemper AF, Maier TA, Graser S, Cheng HP, Hirschfeld PJ, Scalapino DJ. Sensitivity of the superconducting state and magnetic susceptibility to key aspects of electronic structure in ferropnictides New Journal of Physics. 12. DOI: 10.1088/1367-2630/12/7/073030 |
0.723 |
|
| 2010 |
Cao C, Wu YN, Hamdan R, Wang YP, Cheng HP. Accurate projected augmented wave datasets for BaFe2As 2 New Journal of Physics. 12. DOI: 10.1088/1367-2630/12/12/123029 |
0.56 |
|
| 2010 |
Chen Y, Cheng H. Structure and stability of thin water films on quartz surfaces Applied Physics Letters. 97: 161909. DOI: 10.1063/1.3504710 |
0.335 |
|
| 2010 |
Palma JL, Cao C, Zhang X, Krstić PS, Krause JL, Cheng H. Manipulating I−V Characteristics of a Molecular Switch with Chemical Modifications The Journal of Physical Chemistry C. 114: 1655-1662. DOI: 10.1021/Jp9062466 |
0.687 |
|
| 2010 |
Cao C, Chen Y, Wu Y, Deumens E, Cheng H. OPAL: A multiscale multicenter simulation package based on MPI-2 protocol International Journal of Quantum Chemistry. 111: 4020-4029. DOI: 10.1002/Qua.22916 |
0.502 |
|
| 2009 |
Alkis S, Krause JL, Fry JN, Cheng HP. Dynamics of Ag clusters on complex surfaces: Molecular dynamics simulations Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.121402 |
0.54 |
|
| 2009 |
Cao C, Kemper AF, Agapito L, Zhang JW, He Y, Rinzler A, Cheng HP, Zhang XG, Rocha AR, Sanvito S. Nonequilibrium Green's function study of Pd 4 -cluster-functionalized carbon nanotubes as hydrogen sensors Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.075127 |
0.701 |
|
| 2009 |
Agapito LA, Alkis S, Krause JL, Cheng H. Atomistic Origins of Molecular Memristors The Journal of Physical Chemistry C. 113: 20713-20718. DOI: 10.1021/Jp9060347 |
0.58 |
|
| 2009 |
Alkis S, Cao C, Cheng H, Krause JL. Molecular Dynamics Simulations of Au Penetration through Alkanethiol Monolayers on the Au(111) Surface The Journal of Physical Chemistry C. 113: 6360-6366. DOI: 10.1021/Jp8074354 |
0.707 |
|
| 2008 |
He Y, Cao C, Trickey SB, Cheng HP. Predictive first-principles simulations of strain-induced phenomena at water-silica nanotube interfaces. The Journal of Chemical Physics. 129: 011101. PMID 18624459 DOI: 10.1063/1.2953457 |
0.517 |
|
| 2008 |
Cao C, Hill S, Cheng HP. Strongly correlated electrons in the [Ni(hmp)(ROH)X]4 single molecule magnet: a DFT+U study. Physical Review Letters. 100: 167206. PMID 18518243 DOI: 10.1103/Physrevlett.100.167206 |
0.567 |
|
| 2008 |
Agapito LA, Cao C, Cheng H. First-principles determination of the effects of intermolecular interactions on the electronic transport through molecular monolayers Physical Review B. 78. DOI: 10.1103/Physrevb.78.155421 |
0.565 |
|
| 2008 |
Cao C, Hirschfeld PJ, Cheng HP. Proximity of antiferromagnetism and superconductivity in LaFeAsO1-x Fx: Effective Hamiltonian from ab initio studies Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.220506 |
0.666 |
|
| 2008 |
Graser S, Boyd GR, Cao C, Cheng HP, Hirschfeld PJ, Scalapino DJ. Determining gap nodal structures in Fe-based superconductors: Theory of the angle dependence of the low-temperature specific heat in an applied magnetic field Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.180514 |
0.64 |
|
| 2008 |
Cao C, He Y, Cheng H. First-principles simulations of dissociated and molecularH2adsorption onPd4-cluster-functionalized carbon nanotubes Physical Review B. 77. DOI: 10.1103/Physrevb.77.045412 |
0.516 |
|
| 2008 |
Chen Y, Cao C, Cheng H. Finding stable α-quartz (0001) surface structures via simulations Applied Physics Letters. 93: 181911. DOI: 10.1063/1.3021398 |
0.518 |
|
| 2007 |
Cao C, He Y, Torras J, Deumens E, Trickey SB, Cheng HP. Fracture, water dissociation, and proton conduction in SiO2 nanochains. The Journal of Chemical Physics. 126: 211101. PMID 17567180 DOI: 10.1063/1.2730782 |
0.54 |
|
| 2007 |
Schmidt M, Masson A, Bréchignac C, Cheng HP. Hydrogen peroxide and ammonia on protonated ice clusters. The Journal of Chemical Physics. 126: 154315. PMID 17461634 DOI: 10.1063/1.2717180 |
0.319 |
|
| 2007 |
He Y, Zhang C, Cao C, Cheng H. Effects of strain and defects on the electron conductance of metallic carbon nanotubes Physical Review B. 75. DOI: 10.1103/Physrevb.75.235429 |
0.618 |
|
| 2007 |
Agapito LA, Cheng H. Ab Initio Calculation of a Graphene-Ribbon-Based Molecular Switch The Journal of Physical Chemistry C. 111: 14266-14273. DOI: 10.1021/Jp073798I |
0.399 |
|
| 2007 |
Alkis S, Jiang P, Wang LL, Roitberg AE, Cheng HP, Krause JL. Molecular dynamics simulations of alkanethiol monolayers with azobenzene molecules on the Au(111) surface Journal of Physical Chemistry C. 111: 14743-14752. DOI: 10.1021/Jp068471G |
0.687 |
|
| 2007 |
Muralidharan K, Cao C, Wan YX, Runge K, Cheng HP. Environment dependent dynamic charge potential for silica: Application to nanoscale silica structures Chemical Physics Letters. 437: 92-98. DOI: 10.1016/J.Cplett.2007.01.081 |
0.505 |
|
| 2006 |
He Y, Cao C, Wan YX, Cheng HP. From cluster to bulk: size dependent energetics of silica and silica-water interaction. The Journal of Chemical Physics. 124: 024722. PMID 16422641 DOI: 10.1063/1.2140696 |
0.554 |
|
| 2006 |
Zhang C, He Y, Cheng H, Xue Y, Ratner MA, Zhang X, Krstic P. Current-voltage characteristics through a single light-sensitive molecule Physical Review B. 73. DOI: 10.1103/Physrevb.73.125445 |
0.362 |
|
| 2006 |
Cheng H, Wang L, Du M, Cao C, Wan Y, He Y, Muralidharan K, Greenlee G, Kolchin A. Quantum, classical, and multi-scale simulation of silica–water interaction: molecules, clusters, and extended systems Journal of Computer-Aided Materials Design. 13: 161-183. DOI: 10.1007/S10820-006-9009-X |
0.512 |
|
| 2005 |
Mallik A, Runge K, Cheng H, Dufty J. Constructing a small strain potential for multi-scale modeling Molecular Simulation. 31: 695-703. DOI: 10.1080/08927020500215513 |
0.322 |
|
| 2004 |
Du MH, Kolchin A, Cheng HP. Hydrolysis of a two-membered silica ring on the amorphous silica surface. The Journal of Chemical Physics. 120: 1044-54. PMID 15267941 DOI: 10.1063/1.1630026 |
0.616 |
|
| 2004 |
Zhang C, Zhang XG, Krstić PS, Cheng HP, Butler WH, MacLaren JM. Electronic structure and spin-dependent tunneling conductance under a finite bias Physical Review B - Condensed Matter and Materials Physics. 69. DOI: 10.1103/Physrevb.69.134406 |
0.481 |
|
| 2004 |
Wang L, Cheng H. Rotation, translation, charge transfer, and electronic structure ofC60on Cu(111) surface Physical Review B. 69. DOI: 10.1103/Physrevb.69.045404 |
0.558 |
|
| 2003 |
Wang L, Perera A, Cheng H. Molecular dynamics simulation of potential sputtering on a LiF surface by slow highly charged ions Physical Review B. 68. DOI: 10.1103/Physrevb.68.115409 |
0.58 |
|
| 2003 |
Du M, Cheng H. Manipulation of fullerene-induced impurity states in carbon peapods Physical Review B. 68. DOI: 10.1103/Physrevb.68.113402 |
0.618 |
|
| 2003 |
Du M, Kolchin A, Cheng H. Water–silica surface interactions: A combined quantum-classical molecular dynamic study of energetics and reaction pathways The Journal of Chemical Physics. 119: 6418-6422. DOI: 10.1063/1.1614211 |
0.638 |
|
| 2003 |
Schmidt M, Cahuzac P, Bréchignac C, Cheng H. The stability of free and oxidized silver clusters The Journal of Chemical Physics. 118: 10956-10962. DOI: 10.1063/1.1575738 |
0.34 |
|
| 2003 |
Chen Z, Du X, Du MH, Daniel Rancken C, Cheng HP, Rinzler AG. Bulk separative enrichment in metallic or semiconducting single-walled carbon nanotubes Nano Letters. 3: 1245-1249. DOI: 10.1021/Nl0344763 |
0.577 |
|
| 2003 |
Polihronov JG, Hummel RE, Cheng HP. Optical properties and energetics of oxygenated silicon ring-shaped clusters Journal of Luminescence. 101: 55-62. DOI: 10.1016/S0022-2313(02)00388-5 |
0.32 |
|
| 2003 |
Du M, Cheng H. Transparent interface between classical molecular dynamics and first-principles molecular dynamics International Journal of Quantum Chemistry. 93: 1-8. DOI: 10.1002/Qua.10480 |
0.345 |
|
| 2002 |
Cheng HP, Barnett RN, Landman U. Structure, collective hydrogen transfer, and formation of Si(OH)4 in SiO2-(H2O)n clusters Journal of Chemical Physics. 116: 9300-9304. DOI: 10.1063/1.1473808 |
0.549 |
|
| 2002 |
Polihronov JG, Hedström M, Hummel RE, Cheng HP. Semi-empirical calculation of the optical spectra of silica clusters in spark-processed silicon Journal of Luminescence. 96: 119-128. DOI: 10.1016/S0022-2313(01)00414-8 |
0.307 |
|
| 2001 |
Du M, Cheng H. Crossover in energy redistribution duringC60@Xe144surface impact Physical Review B. 64. DOI: 10.1103/PhysRevB.64.193405 |
0.501 |
|
| 2000 |
Hedström M, Cheng H. Molecular-dynamics simulations of nanoscale surface modification of Si(111) via local excitation Physical Review B. 62: 2751-2758. DOI: 10.1103/Physrevb.62.2751 |
0.342 |
|
| 1999 |
Hedström M, Cheng H. Characteristics of sub-keV atom-Si(111) surface collisions Physical Review B. 59: 10701-10706. DOI: 10.1103/Physrevb.59.10701 |
0.353 |
|
| 1999 |
Cheng H. Cluster-surface collisions: Characteristics of Xe55- and C20–Si[111] surface bombardment The Journal of Chemical Physics. 111: 7583-7592. DOI: 10.1063/1.480085 |
0.334 |
|
| 1999 |
Sadeghi RR, Cheng H. The dynamics of proton transfer in a water chain The Journal of Chemical Physics. 111: 2086-2094. DOI: 10.1063/1.479477 |
0.335 |
|
| 1998 |
Ye L, Cheng H. A quantum molecular dynamics study of the properties of NO+(H2O)n clusters The Journal of Chemical Physics. 108: 2015-2023. DOI: 10.1063/1.475580 |
0.365 |
|
| 1997 |
Cheng H, Gillaspy JD. Nanoscale modification of silicon surfaces via Coulomb explosion Physical Review B. 55: 2628-2636. DOI: 10.1103/Physrevb.55.2628 |
0.347 |
|
| 1997 |
Cheng H, Krause JL. The dynamics of proton transfer in H5O2+ The Journal of Chemical Physics. 107: 8461-8468. DOI: 10.1063/1.475046 |
0.603 |
|
| 1996 |
Cheng H. The motion of protons in water–ammonia clusters The Journal of Chemical Physics. 105: 6844-6855. DOI: 10.1063/1.471979 |
0.33 |
|
| 1995 |
Cheng H, Barnett R, Landman U. All-quantum simulations: H3O+ and H5O2+ Chemical Physics Letters. 237: 161-170. DOI: 10.1016/0009-2614(95)00282-9 |
0.474 |
|
| 1995 |
Cheng H, Barnett RN, Landman U. Quantum mechanical simulations of water and ammonia molecules and their clusters International Journal of Quantum Chemistry. 56: 615-620. DOI: 10.1002/Qua.560560866 |
0.556 |
|
| 1994 |
Cheng H, Landman U. Controlled Deposition and Classification of Copper Nanoclusters The Journal of Physical Chemistry. 98: 3527-3537. DOI: 10.1021/J100064A040 |
0.508 |
|
| 1993 |
Cheng HP, Landman U. Controlled deposition, soft landing, and glass formation in nanocluster-surface collisions. Science (New York, N.Y.). 260: 1304-7. PMID 17755423 DOI: 10.1126/Science.260.5112.1304 |
0.522 |
|
| 1993 |
Cheng HP, Barnett RN, Landman U. Energetics and structures of aluminum-lithium clusters. Physical Review. B, Condensed Matter. 48: 1820-1824. PMID 10008545 DOI: 10.1103/Physrevb.48.1820 |
0.546 |
|
| 1993 |
Cheng H, Barnett RN, Landman U. Energetics of aluminum-lithium clusters Zeitschrift F�R Physik D Atoms, Molecules and Clusters. 26: 296-300. DOI: 10.1007/Bf01429174 |
0.558 |
|
| 1992 |
Cheng HP, Berry RS. Surface melting of clusters and implications for bulk matter. Physical Review. A. 45: 7969-7980. PMID 9906888 DOI: 10.1103/Physreva.45.7969 |
0.496 |
|
| 1992 |
Landman U, Barnett R, Cleveland C, Cheng H. SMALL IS DIFFERENT International Journal of Modern Physics B. 6: 3623-3642. DOI: 10.1142/S0217979292001699 |
0.529 |
|
| 1991 |
Persson JL, Whetten RL, Cheng HP, Berry RS. Evidence for quantized electronic level structure for 100-1300 electrons in metal-atomic clusters Chemical Physics Letters. 186: 215-222. DOI: 10.1016/S0009-2614(91)85132-G |
0.439 |
|
| 1990 |
Cheng H, Stephen Berry R. Surface Melting and Surface Diffusion on Clusters Mrs Proceedings. 206. DOI: 10.1557/Proc-206-241 |
0.338 |
|
| 1990 |
Berry RS, Braier P, Hinde R, Cheng H. Dynamics and Potential Surfaces of Small Clusters Israel Journal of Chemistry. 30: 39-44. DOI: 10.1002/Ijch.199000005 |
0.483 |
|
| Show low-probability matches. |