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Modeling of ZnO/MoS2/CZTS photovoltaic solar cell through window, buffer and absorber layers optimization
Materials Science and Engineering: B,
2021
DOI:10.1016/j.mseb.2020.114816
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[2]
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In-depth first-principle study on novel MoS2 polymorphs
RSC Advances,
2021
DOI:10.1039/D0RA10443D
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[3]
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Ultrafast charge dynamics and photoluminescence in bilayer MoS2
2D Materials,
2021
DOI:10.1088/2053-1583/abd6b5
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[4]
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First-Principles Study of Na Intercalation and Diffusion Mechanisms at 2D MoS2/Graphene Interfaces
The Journal of Physical Chemistry C,
2021
DOI:10.1021/acs.jpcc.0c10107
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[5]
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Nitrobenzene sensing in pristine and metal doped 2D dichalcogenide MoS2: Insights from density functional theory investigations
Applied Surface Science,
2021
DOI:10.1016/j.apsusc.2021.149395
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Tuning electronic properties of pentagonal PdSe2 monolayer by applying external strain
Indian Journal of Physics,
2021
DOI:10.1007/s12648-021-02026-z
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[7]
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Electronic Properties of Bulk and Single-Layer MoS2 Using ab Initio DFT: Application of Spin-Orbit Coupling (SOC) Parameters
East European Journal of Physics,
2020
DOI:10.26565/2312-4334-2020-4-09
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MoS2@X2C (X = Mo or W) hybrids for enhanced supercapacitor and hydrogen evolution performances
Chemical Engineering Journal,
2020
DOI:10.1016/j.cej.2020.127843
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Tuning Structural, Electronic, and Magnetic Properties of C Sites Vacancy Defects in Graphene/MoS2 van der Waals Heterostructure Materials: A First-Principles Study
Advances in Condensed Matter Physics,
2020
DOI:10.1155/2020/8850701
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Electronic and optical properties of 2D monolayer (ML) MoS2 with vacancy defect at S sites
Nano-Structures & Nano-Objects,
2020
DOI:10.1016/j.nanoso.2019.100404
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Gate-Voltage Control of Quantum Yield in Monolayer Transition-Metal Dichalcogenide
Physical Review Applied,
2020
DOI:10.1103/PhysRevApplied.13.014040
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Effect of large work function modulation of MoS2 by controllable chlorine doping using a remote plasma
Journal of Materials Chemistry C,
2020
DOI:10.1039/C9TC05548G
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[13]
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Experimental study of the diamagnetism and the ferromagnetism in MoS2 thin films
Applied Physics A,
2020
DOI:10.1007/s00339-020-3286-1
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Strain and electric field dependent variation in electronic and thermoelectric properties of PtS2
Results in Physics,
2020
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Two-dimensional few-layered PC3 as a promising photocatalyst for overall water splitting
Physical Chemistry Chemical Physics,
2020
DOI:10.1039/D0CP01392G
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Electronic structure and dynamic properties of two-dimensional W Mo1−S2 ternary alloys from first-principles calculations
Computational Materials Science,
2020
DOI:10.1016/j.commatsci.2020.109797
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Phase diagrams of single-layer two-dimensional transition metal dichalcogenides: Landau theory
Physical Review B,
2020
DOI:10.1103/PhysRevB.101.195424
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[18]
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Electronic properties and low lattice thermal conductivity (κl) of mono-layer (ML) MoS2: FP-LAPW incorporated with spin–orbit coupling (SOC)
RSC Advances,
2020
DOI:10.1039/D0RA02585B
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[19]
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Modulation of electronic and transport properties of bilayer heterostructures:
InSe/MoS2
and
InSe/h
-BN as the prototype
Physical Review B,
2020
DOI:10.1103/PhysRevB.101.235425
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Theoretical Modeling of Inorganic Nanostructures
NanoScience and Technology,
2020
DOI:10.1007/978-3-030-42994-2_8
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Promising optoelectronic response of 2D monolayer MoS2: A first principles study
Chemical Physics,
2020
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Straintronic effect for superconductivity enhancement in Li-intercalated bilayer MoS2
Nanoscale Advances,
2020
DOI:10.1039/D0NA00420K
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Optical spectra of monolayer MoS2 from spin-polarized all electrons density-functional calculations
Optik,
2020
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2D SnC sheet with a small strain is a promising Li host material for Li-ion batteries
Materials Today Communications,
2020
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First Principle Study of Adsorption Behavior of PF5 Gas Molecule on S and Mo Vacancy MoS2 Monolayer
Journal of Electronic Materials,
2020
DOI:10.1007/s11664-020-08480-5
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Optical and Electrical Characterization of n-MoS2/p-Si Heterojunction Diode
2020 IEEE International IOT, Electronics and Mechatronics Conference (IEMTRONICS),
2020
DOI:10.1109/IEMTRONICS51293.2020.9216399
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Optical response and magnetic moment of MoS2 material
Optik,
2019
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[28]
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Enhancing interfacial charge transfer on novel 3D/1D multidimensional MoS2/TiO2 heterojunction toward efficient photoelectrocatalytic removal of levofloxacin
Electrochimica Acta,
2019
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Polymeric tungsten carbide nanoclusters: structural evolution, ligand modulation, and assembled nanomaterials
Nanoscale,
2019
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[30]
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Unusual Mechanism Behind Enhanced Photocatalytic Activity and Surface Passivation of SiC(0001) via Forming Heterostructure with a MoS2 Monolayer
The Journal of Physical Chemistry C,
2019
DOI:10.1021/acs.jpcc.9b08740
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[31]
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Raman Spectra Shift of Few-Layer IV-VI 2D Materials
Scientific Reports,
2019
DOI:10.1038/s41598-019-55577-x
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[32]
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h-CaS and h-CaSe nanosheets in CaX (X = O, S, Se and Te) series: promising thermoelectric materials under DFT investigation
Applied Nanoscience,
2019
DOI:10.1007/s13204-019-00997-4
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[33]
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Synergetic effect in RuxMo(1-x)S2/SBA-15 hydrodesulfurization catalysts: Comparative experimental and DFT studies
Applied Catalysis B: Environmental,
2019
DOI:10.1016/j.apcatb.2019.03.034
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[34]
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A first-principles study of Cl2, PH3, AsH3, BBr3 and SF4 gas adsorption on MoS2 monolayer with S and Mo vacancy
Applied Surface Science,
2019
DOI:10.1016/j.apsusc.2019.05.197
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Transition-Metal Diboride: A New Family of Two-Dimensional Materials Designed for Selective CO2 Electroreduction
The Journal of Physical Chemistry C,
2019
DOI:10.1021/acs.jpcc.9b04221
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Strain induced valley degeneracy: a route to the enhancement of thermoelectric properties of monolayer WS2
RSC Advances,
2019
DOI:10.1039/C9RA04470A
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[37]
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Dependence of Electronic and Optical Properties of MoS2 Multilayers on the Interlayer Coupling and Van Hove Singularity
Nanoscale Research Letters,
2019
DOI:10.1186/s11671-019-3105-9
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[38]
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Titanium contacts to
MoS2
with interfacial oxide: Interface chemistry and thermal transport
Physical Review Materials,
2019
DOI:10.1103/PhysRevMaterials.3.104001
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[39]
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Structural and optical characterization of stacked MoS2 nanosheets by hydrothermal method
Journal of Materials Science: Materials in Electronics,
2018
DOI:10.1007/s10854-017-8417-x
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Ab-initio study of structural and electronic properties of WS 2 /h-BN van der Waals heterostructure
Surface Science,
2018
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[41]
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Giant thermopower in ‘p’ type OsX2 (X: S, Se, Te) for a wide temperature range: a first principles study
Journal of Physics: Condensed Matter,
2018
DOI:10.1088/1361-648X/aaca6a
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Comparative study of polytype 2H-MoS 2 and 3R-MoS 2 systems by employing DFT
Physica E: Low-dimensional Systems and Nanostructures,
2018
DOI:10.1016/j.physe.2018.07.003
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Density functional and Monte Carlo investigation of
FeNi/MoS2
junction
Physical Review B,
2018
DOI:10.1103/PhysRevB.98.125423
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[44]
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Versatile and Scalable Strategy To Grow Sol–Gel Derived 2H-MoS2 Thin Films with Superior Electronic Properties: A Memristive Case
ACS Applied Materials & Interfaces,
2018
DOI:10.1021/acsami.8b12596
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Infrared and Raman active vibrational modes in MoS2
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Journal of Computational Chemistry,
2018
DOI:10.1002/jcc.25530
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KAgSe: A New Two-Dimensional Efficient Photovoltaic Material with Layer-Independent Behaviors
ACS Applied Materials & Interfaces,
2018
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Field enhancement of MoS2: visualization of the enhancement and effect of the number of layers
Nanoscale,
2018
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Band gap modulation of ZrX2 (X = S, Se, Te) mono-layers under biaxial strain and transverse electric field and its lattice dynamic properties: a first principles study
Materials Research Express,
2018
DOI:10.1088/2053-1591/aaf774
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Strained noble metal di chalcogenides PtX 2 (X = S, Se) mono-layer: Ab initio study of electronic and lattice dynamic properties
Physica E: Low-dimensional Systems and Nanostructures,
2018
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Nanophysics, Nanomaterials, Interface Studies, and Applications
Springer Proceedings in Physics,
2017
DOI:10.1007/978-3-319-56422-7_65
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Exploring the electron density localization in single MoS2 monolayers by means of a localize-electrons detector and the quantum theory of atoms in molecules
AIP Advances,
2017
DOI:10.1063/1.4999620
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Strain and pH facilitated artificial photosynthesis in monolayer MoS2 nanosheets
J. Mater. Chem. A,
2017
DOI:10.1039/C7TA06747J
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Physics and chemistry of oxidation of two-dimensional nanomaterials by molecular oxygen
Wiley Interdisciplinary Reviews: Computational Molecular Science,
2017
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Recent Advances in the Study of Phosphorene and its Nanostructures
Critical Reviews in Solid State and Materials Sciences,
2017
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Enhancement of the conversion efficiency of Cu2ZnSnS4 thin film solar cell through the optimization of some device parameters
Optik - International Journal for Light and Electron Optics,
2017
DOI:10.1016/j.ijleo.2017.01.008
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Strained rocksalt ScN:ab initiostudies of electronic structure and lattice-dynamical properties
Materials Research Express,
2017
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Strain dependent tuning electronic properties of noble metal di chalcogenides PdX 2 (X = S, Se) mono-layer
Materials Chemistry and Physics,
2017
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Tuning Optical Properties of MoS2 Bulk and Monolayer Under Compressive and Tensile Strain: A First Principles Study
Journal of Electronic Materials,
2017
DOI:10.1007/s11664-017-5643-1
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First principle study on the structure, electronic and optical properties of MoS2/AlN hybrid bilayer: A DFT investigation
2017
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Effect of lattice strain on nanomaterials in energy applications: A perspective on experiment and theory
International Journal of Hydrogen Energy,
2017
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First Principles Study of Molybdenum Disulfide Electronic Structure
Journal of Physics: Conference Series,
2017
DOI:10.1088/1742-6596/877/1/012026
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Tunable electron and phonon properties of folded single-layer molybdenum disulfide
Nano Research,
2017
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Electrodeposition of Cu-Doped MoS
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Journal of The Electrochemical Society,
2017
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Infinitesimal base transformations method for calculating the k.p Hamiltonian of monolayer MoS 2
Superlattices and Microstructures,
2017
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Electronic excitation-induced semiconductor-to-metal transition in monolayerMoTe2
Physical Review B,
2016
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THz time-domain spectroscopy and IR spectroscopy on MoS2
physica status solidi (b),
2016
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The effect of uniaxial strain on the optical properties of monolayer molybdenum disulfide
Journal of Physics D: Applied Physics,
2016
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Negative Electrocatalytic Effects of p-Doping Niobium and Tantalum on MoS2 and WS2 for the Hydrogen Evolution Reaction and Oxygen Reduction Reaction
ACS Catalysis,
2016
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Two-Dimensional Transition-Metal Dichalcogenides
Springer Series in Materials Science,
2016
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Comparison of Mo/MgO and Mo/γ-Al2O3 catalysts: impact of support on the structure and dibenzothiophene hydrodesulfurization reaction pathways
International Journal of Environmental Science and Technology,
2016
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Interfacial effect on the electrochemical properties of the layered graphene/metal sulfide composites as anode materials for Li-ion batteries
Surface Science,
2016
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Strain-engineering the anisotropic electrical conductance in ReS2 monolayer
Applied Physics Letters,
2016
DOI:10.1063/1.4947195
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Calculation of the dynamic first electronic hyperpolarizability β(−ωσ; ω1, ω2) of periodic systems. Theory, validation, and application to multi-layer MoS2
The Journal of Chemical Physics,
2015
DOI:10.1063/1.4937770
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