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Directional dependence of band gap modulation via uniaxial strain in MoS2 and TiS3
Nanotechnology,
2024
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Rheological and shear thickening properties in MoS2 nanosheets dispersion: An integrated experimental and theoretical investigation
Physica B: Condensed Matter,
2024
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First principles study of strain effects on prospective 2D photocatalysts Sn2Se2X4 (X = P, As) with ultra-high charge carrier mobility
Physical Chemistry Chemical Physics,
2024
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MoSe2/p-GaN heterojunction for enhanced UV and NIR photodetector
Journal of Materials Science: Materials in Electronics,
2024
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Progress and development on the synthesis and application of two-dimensional molybdenum disulphide
Materials Science and Technology,
2024
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First-principles design of MSi2N4/WSi2N4 (M = Ti, Zr, Hf): Structural stability, thermal, electronic and optical properties
Results in Physics,
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The European Physical Journal Plus,
2023
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Modeling of Copper Zinc Tin Sulfide Solar Cells with Various Buffers Using SCAPS‐1D
physica status solidi (b),
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Probing Morphology-Dependent CdS/MoS2 Heterostructures for Photocatalytic and Light-Sensing Applications
ACS Applied Nano Materials,
2023
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Direct Synthesis of Printable 2D Material Inks Using LASiS
2023 IEEE International Flexible Electronics Technology Conference (IFETC),
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Nanoscale homojunction thermoelectric generator built in defect-engineered
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Tuning of optical performance of CrS2 monolayer using strain engineering
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Two-dimensional conjugated coordination polymer monolayer as anode material for lithium-ion batteries: A DFT study
Chinese Chemical Letters,
2023
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Structure, Stability, and Superconductivity of Two-Dimensional Janus NbSH Monolayers: A First-Principle Investigation
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Molecular modeling and simulation of transition metal–doped molybdenum disulfide biomarkers in exhaled gases for early detection of lung cancer
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2023
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Charge-Transfer-Driven Phase Transition of Two-Dimensional MoTe2 in Donor–Acceptor Heterostructures
The Journal of Physical Chemistry Letters,
2023
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Highly selective nitrogen dioxide gas sensing of ReS2 nanosheets: A first-principles study
Applied Surface Science,
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Theoretical insights into the hydrogen oxidation reaction on single metal atoms anchored on the edge of MoS2 nanosheets
Computational Materials Science,
2023
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Measuring the Bandgap of Ambipolar 2D Semiconductors using Multilayer Graphene Contact
Small Science,
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Energy transfer and patterning characteristics in pulsed-laser subtractive manufacturing of single layer of MoS2
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Highly selective nitrogen dioxide gas sensing of ReS2 nanosheets: A first-principles study
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Layered Heterostructures Based on MoS2/MoSe2 Nanosheets Deposited on GaN Substrates for Photodetector Applications
ACS Applied Nano Materials,
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First-Principles Insights into the Relative Stability, Physical Properties, and Chemical Properties of MoSe2
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Analyzing the electronic and optical properties of bulk, unstrained, and strained monolayers of SrS2 by DFT
Physica E: Low-dimensional Systems and Nanostructures,
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Revealing the electronic, optical, phonon and thermoelectrical characteristics of bulk and monolayered RbLiS and RbLiSe compounds by DFT
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Elucidating the Structural, Electronic, Elastic, and Optical Properties of Bulk and Monolayer MoS2 Transition-Metal Dichalcogenides: A DFT Approach
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Adsorption, sensing, electronic and magnetic properties of phosgene (COCl2) molecule adsorbed on Nb-doped arsenene: First-principles study
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Exploring the structural stability, electronic and thermal attributes of synthetic 2D materials and their heterostructures
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Applied Surface Science,
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Advanced Healthcare Materials,
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Design and exploring the structure, optical and electronic characteristics of silicon doped PS/MoS2 structures for electronics Nanodevices
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Analyzing the electronic and optical properties of bulk, unstrained, and strained monolayers of SrS2 by DFT
Physica E: Low-dimensional Systems and Nanostructures,
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Applied Surface Science,
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Tuning electronic properties of pentagonal PdSe2 monolayer by applying external strain
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Applied Surface Science,
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First principle insight into co-doped MoS2 for sensing NH3 and CH4
Facta universitatis - series: Electronics and Energetics,
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Canadian Journal of Physics,
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Metal dichalcogenide nanomeshes: structural, electronic and magnetic properties
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First Principle Study of Adsorption Behavior of PF5 Gas Molecule on S and Mo Vacancy MoS2 Monolayer
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Tuning MoSO monolayer properties for optoelectronic and spintronic applications: effect of external strain, vacancies and doping
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On the optical properties and dynamical and mechanical stability of 1T PdSSe, PdSTe, and PdSeTe monolayers under biaxial strain
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Nitrobenzene sensing in pristine and metal doped 2D dichalcogenide MoS2: Insights from density functional theory investigations
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2D Materials,
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Modeling of ZnO/MoS2/CZTS photovoltaic solar cell through window, buffer and absorber layers optimization
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In-depth first-principle study on novel MoS2 polymorphs
RSC Advances,
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Structural, electronic and magnetic properties of S sites vacancy defects graphene/MoS2 van der Waals heterostructures: First-principles study
International Journal of Computational Materials Science and Engineering,
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First-Principles Study of Na Intercalation and Diffusion Mechanisms at 2D MoS2/Graphene Interfaces
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npj 2D Materials and Applications,
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Lattice Design for Non-Carbon Two-Dimensional Allotropic Modifications
Reviews on advanced materials and technologies,
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First-Principles Study of Na Intercalation and Diffusion Mechanisms at 2D MoS2/Graphene Interfaces
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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,
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The Journal of Physical Chemistry C,
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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,
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MoS2@X2C (X = Mo or W) hybrids for enhanced supercapacitor and hydrogen evolution performances
Chemical Engineering Journal,
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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,
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Gate-Voltage Control of Quantum Yield in Monolayer Transition-Metal Dichalcogenide
Physical Review Applied,
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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,
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Experimental study of the diamagnetism and the ferromagnetism in MoS2 thin films
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Strain and electric field dependent variation in electronic and thermoelectric properties of PtS2
Results in Physics,
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Two-dimensional few-layered PC3 as a promising photocatalyst for overall water splitting
Physical Chemistry Chemical Physics,
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Electronic structure and dynamic properties of two-dimensional W Mo1−S2 ternary alloys from first-principles calculations
Computational Materials Science,
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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)
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NanoScience and Technology,
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Optical spectra of monolayer MoS2 from spin-polarized all electrons density-functional calculations
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Optical and Electrical Characterization of n-MoS2/p-Si Heterojunction Diode
2020 IEEE International IOT, Electronics and Mechatronics Conference (IEMTRONICS),
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Scientific Reports,
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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
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