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Journal of Physical Chemistry C, ISSN 1932-7447, 05/2012, Volume 116, Issue 21, pp. 11752 - 11757
Journal Article
Journal of Materials Chemistry, ISSN 0959-9428, 04/2012, Volume 22, Issue 15, pp. 7280 - 7290
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 01/2014, Volume 89, Issue 3
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 04/2014, Volume 136, Issue 17, pp. 6269 - 6275
Using first-principles calculations and deformation potential theory, we investigate the intrinsic carrier mobility (μ) of monolayer MoS2 sheet and... 
TRANSITION | TRANSISTORS | TRANSPORT | CARBON | CHEMISTRY, MULTIDISCIPLINARY | Physics - Materials Science
Journal Article
Journal of Physical Chemistry C, ISSN 1932-7447, 06/2015, Volume 119, Issue 24, pp. 13929 - 13936
Vertical integration of two-dimensional materials has recently emerged as an exciting method for the design of novel electronic and optoelectronic devices.... 
PHOTOLUMINESCENCE | SEMICONDUCTOR | MOBILITY | MATERIALS SCIENCE, MULTIDISCIPLINARY | GRAPHENE | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | LAYERS | TRANSISTORS | TRANSPORT ANISOTROPY | GROWTH | BLACK | CHARGE-TRANSFER | Physics - Materials Science
Journal Article
Scientific Reports, ISSN 2045-2322, 10/2014, Volume 4, Issue 1, p. 6677
Using first-principles calculations, we study the electronic properties of few-layer phosphorene focusing on layer-dependent behavior of band gap, work... 
APPROXIMATION | MOBILITY | MULTIDISCIPLINARY SCIENCES | SILICON NANOWIRES | BLACK-PHOSPHORUS | Band gap | Physics - Materials Science
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 04/2013, Volume 87, Issue 15
The quasiparticle (QP) band structures of both strainless and strained monolayer MoS2 are investigated using more accurate many-body perturbation GW theory and... 
ELECTRONIC-PROPERTIES | PHYSICS, CONDENSED MATTER | GREENS-FUNCTION | Physics - Materials Science
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 05/2012, Volume 116, Issue 21, pp. 11752 - 11757
First-principles calculations are carried out to study the effects of strain on the electronic and magnetic properties of MoS2 nanoribbons. We predict that... 
AUGMENTED-WAVE METHOD | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | SINGLE-LAYER MOS2 | NANOSCIENCE & NANOTECHNOLOGY | CATALYST | DISULFIDE | SHEETS | HYDROGEN EVOLUTION | TRANSITION-METAL DICHALCOGENIDES | NANOPARTICLES | GAS | NANOTUBES
Journal Article
Nature Nanotechnology, ISSN 1748-3387, 09/2012, Volume 7, Issue 9, pp. 551 - 552
Journal Article
Journal of Physical Chemistry C, ISSN 1932-7447, 02/2015, Volume 119, Issue 6, pp. 3102 - 3110
First-principles calculations are performed to investigate the interaction of physisorbed small molecules, including CO, H-2, H2O, NH3, NO, NO2, and O-2, with... 
MOBILITY | BEHAVIOR | MATERIALS SCIENCE, MULTIDISCIPLINARY | GRAPHENE | CHEMISTRY, PHYSICAL | HYDROGEN ADSORPTION | MOS2 TRANSISTORS | NANOSCIENCE & NANOTECHNOLOGY | GRAPHITE | CARBON NANOTUBES | NANORIBBONS | LAYER BLACK PHOSPHORUS | MONOLAYER
Journal Article
Journal of Physical Chemistry C, ISSN 1932-7447, 07/2015, Volume 119, Issue 28, pp. 16358 - 16365
Journal Article
PHYSICAL REVIEW B, ISSN 1098-0121, 01/2014, Volume 89, Issue 3
The anharmonic behavior of phonons and intrinsic thermal conductivity associated with the umklapp scattering in monolayer MoS2 sheet are investigated via... 
TRANSITION-METAL DICHALCOGENIDES | ELECTRONIC-PROPERTIES | PHYSICS, CONDENSED MATTER | FEW-LAYER MOS2 | SPECTROSCOPY | SEMICONDUCTORS | TEMPERATURE-DEPENDENT RAMAN | GRAPHENE | DYNAMICS | SPECTRUM | SCATTERING | Physics - Materials Science
Journal Article
Journal of Applied Physics, ISSN 0021-8979, 02/2019, Volume 125, Issue 8
Curvature induced by mechanical deformation in nanostructures has been found to significantly affect their stability and reliability during applications. In... 
Radius of curvature | Deformation mechanisms | Temperature gradients | Phonons | Molecular dynamics | Thermal conductivity | Silicon | Nanowires | Thermodynamic properties | Heat conductivity | Heat transfer | Heat flux
Journal Article
ISSN 2040-3364, 10/2019, Volume 11, Issue 39, pp. 18329 - 18337
The sustainable production of H 2 fuel via the hydrogen evolution reaction (HER) using low-cost catalysts to replace expensive noble metals is highly desired.... 
Journal Article
Nanoscale, ISSN 2040-3364, 10/2019, Volume 11, Issue 39, pp. 18329 - 18337
The sustainable production of H2 fuel via the hydrogen evolution reaction (HER) using low-cost catalysts to replace expensive noble metals is highly desired.... 
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 09/2014, Volume 118, Issue 38, pp. 22368 - 22372
We perform first-principles calculations to study the electronic structures and edge properties of phosphorene nanoribbons (PNRs) with and without edge... 
MOBILITY | MATERIALS SCIENCE, MULTIDISCIPLINARY | GRAPHENE | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | TOTAL-ENERGY CALCULATIONS | MOS2 NANORIBBONS | ADSORPTION | TRANSISTORS | LAYER BLACK PHOSPHORUS | MAGNETIC-PROPERTIES | MONOLAYER | WAVE BASIS-SET
Journal Article
Journal of Applied Physics, ISSN 0021-8979, 10/2015, Volume 118, Issue 16
We present a comparative study of the influence of the number of layers, the biaxial strain in the range of −3% to 3%, and the stacking misalignments on the... 
Optoelectronics | Electrical properties | Misalignment | Stacking | Graphene | Dependence | Comparative studies | Zinc oxide | Density functional theory | Allotropy | Photonic band gaps
Journal Article
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