Graphene

Graphene

ISSN Print: 2169-3439
ISSN Online: 2169-3471
www.scirp.org/journal/graphene
E-mail: graphene@scirp.org
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[1] Two-dimensional conjugated coordination polymer monolayer as anode material for lithium-ion batteries: A DFT study
Chinese Chemical Letters, 2024
[2] MoSe2/p-GaN heterojunction for enhanced UV and NIR photodetector
Journal of Materials …, 2024
[3] First-principles design of MSi2N4/WSi2N4 (M= Ti, Zr, Hf): Structural stability, thermal, electronic and optical properties
Results in Physics, 2024
[4] Rheological and shear thickening properties in MoS2 nanosheets dispersion: An integrated experimental and theoretical investigation
Physica B: Condensed …, 2024
[5] Two-dimensional Van der Waals heterostructures based chalcogenide for photovoltaic applications: a DFT study
Optical and Quantum …, 2024
[6] Ultra-thin double-layered hexagonal CuI: strain tunable properties and robust semiconducting behavior
Journal of Physics …, 2024
[7] High-performance photoelectrochemical cells with MoS2 nanoflakes/TiO2 photoanode on 3D porous carbon spun fabric
Advanced Sensor and …, 2024
[8] First principles study of strain effects on prospective 2D photocatalysts Sn 2 Se 2 X 4 (X= P, As) with ultra-high charge carrier mobility
Physical Chemistry Chemical Physics, 2024
[9] Effect of strain on the electronic structure and optical spectra of two-dimensional monolayer GaN
Journal of Physics and Chemistry of …, 2024
[10] Optimization of the optical response of 2D MoS2 materials obtained through liquid-phase exfoliation using a comprehensive multi-objective approach
Mejía, AL Martínez-Hernández… - FlatChem, 2024
[11] Compilation and deciphering MoS2's physical properties: Accurate benchmark DFT simulations and assessment of advanced quantum methods
Chemical Physics, 2024
[12] Predicting Novel Properties in Two-Dimensional Janus Transition Metal Hydrosulfides with 2H and 1T Phases: Electrodes, Charge Density Waves, and …
arXiv preprint arXiv:2401.15577, 2024
[13] DC/AC/RF Characteristics of Multi-Channel GAA NS FETs with ML and BL MoS2
2023 International Conference on …, 2023
[14] Development of Fermented Camel Milk Incorporating Oats and Sukkari Date Palm Fruit: Nutritional, Physicochemical, Functional, and Organoleptic Attributes
Fermentation, 2023
[15] A Study of Control Mechanisms in Micro and Nano System-Enhanced Polymer Nanocomposites under Mechanical and Electrical Stimuli: An Experimental and …
2023
[16] Direct Synthesis of Printable 2D Material Inks Using LASiS
2023 IEEE International Flexible …, 2023
[17] Tunable electronic structures in C3N/WSe2 van der Waals heterostructure by biaxial strain and external electric field
… Physical Journal Plus, 2023
[18] Structure, Stability, and Superconductivity of Two-Dimensional Janus NbSH Monolayers: A First-Principle Investigation
Molecules, 2023
[19] Energy transfer and patterning characteristics in pulsed-laser subtractive manufacturing of single layer of MoS2
… Journal of Heat and Mass Transfer, 2023
[20] Charge-Transfer-Driven Phase Transition of Two-Dimensional MoTe2 in Donor–Acceptor Heterostructures
The Journal of Physical Chemistry …, 2023
[21] Tuning of optical performance of CrS2 monolayer using strain engineering
Materials Today: Proceedings, 2023
[22] First-Principles Insights into the Relative Stability, Physical Properties, and Chemical Properties of MoSe2
ACS omega, 2023
[23] Layered Heterostructures Based on MoS2/MoSe2 Nanosheets Deposited on GaN Substrates for Photodetector Applications
ACS Applied Nano Materials, 2023
[24] Combined electronic excitation and knock-on damage in monolayer
Physical Review B, 2023
[25] Probing Morphology-Dependent CdS/MoS2 Heterostructures for Photocatalytic and Light-Sensing Applications
ACS Applied Nano …, 2023
[26] Impacts of structural downscaling of inorganic molecular crystals-A DFT study of Sb2O3
Materials Science in …, 2023
[27] Nanoscale homojunction thermoelectric generator built in defect-engineered
Physical Review B, 2023
[28] Directional dependence of band gap modulation via uniaxial strain in MoS2 and TiS3
Nanotechnology, 2023
[29] Highly selective nitrogen dioxide gas sensing of ReS2 nanosheets: A first-principles study
Applied Surface Science, 2023
[30] Theoretical insights into the hydrogen oxidation reaction on single metal atoms anchored on the edge of MoS2 nanosheets
Computational Materials …, 2023
[31] Structural stability, Electronic and Optical Properties of Bulk MoS 2 Transition Metal Dichalcogenides: A DFT Approach
J. Appl. Phys, 2022
[32] Antidiabetic and Hypolipidemic Efficiency of Lactobacillus plantarum Fermented Oat (Avena sativa) Extract in Streptozotocin-Induced Diabetes in Rats
Fermentation, 2022
[33] Strain-induced structural, elastic, and electronic properties of 1L-MoS2
Journal of Materials Research, 2022
[34] Opportunities for Ultrathin 2D Catalysts Photoreduction in Promoting CO2
Photocatalysis Using 2D Nanomaterials, 2022
[35] Prediction of a Novel 2D Porous Boron Nitride Material with Excellent Electronic, Optical and Catalytic Properties
arXiv preprint arXiv:2206.03692, 2022
[36] A Density Functional Theory based study of Transition Metal Dichalcogenide-MoS2
Materials Today: Proceedings, 2022
[37] Measuring the Bandgap of Ambipolar 2D Semiconductors using Multilayer Graphene Contact
Small …, 2022
[38] Elucidating the Structural, Electronic, Elastic, and Optical Properties of Bulk and Monolayer MoS2 Transition-Metal Dichalcogenides: A DFT Approach
ACS …, 2022
[39] Revealing the electronic, optical, phonon and thermoelectrical characteristics of bulk and monolayered RbLiS and RbLiSe compounds by DFT
Journal of Physics and …, 2022
[40] Analyzing the electronic and optical properties of bulk, unstrained, and strained monolayers of SrS2 by DFT
Physica E: Low-dimensional …, 2022
[41] High hole mobilities in two dimensional monolayer MSi 2 Z 4 (M= Mo/W; Z= P, As, Sb) for solar cells
Journal of Materials …, 2022
[42] Structural stability, Electronic and Optical Properties of Bulk MoS2 Transition Metal Dichalcogenides: A DFT Approach
J. Appl. Phys, 2022
[43] Theoretical methods and methodologies
Chemical Vapour Deposition: Growth processes on …, 2022
[44] First principle insight into co-doped MoS2 for sensing NH3 and CH4
Facta Universitatis …, 2022
[45] Opportunities for Ultrathin 2D Catalysts in Promoting CO2 Photoreduction
Photocatalysis Using 2D Nanomaterials, 2022
[46] Flexible electronics based on 2D transition metal dichalcogenides
Journal of Materials …, 2022
[47] Novel CuTe monolayer as promising anode material for Na-ion batteries: A theoretical study
Applied Surface …, 2022
[48] Exploring the structural stability, electronic and thermal attributes of synthetic 2D materials and their heterostructures
Applied Surface Science, 2022
[49] High-throughput analysis of tetragonal transition metal Xenes
Physical Chemistry …, 2022
[50] Two-Dimensional lithium fluoride (LiF) as an efficient hydrogen storage material
Applied Surface Science, 2022
[51] Exploring the Nexus Between Structure, Properties and Applications in Graphene Conductors
… and Polymers Horizon …, 2022
[52] Recent Developments and Perspectives on Solar-driven Fine Chemicals Synthesis: From the Reaction System to 2D Photocatalysts
2022
[53] 2D molybdenum sulfide‐based materials for photo‐excited antibacterial application
Advanced …, 2022
[54] Estudo teórico das propriedades estruturais e eletrônicas do mxene Mo2TiC2O2 e derivados e da capacidade de adsorção de CO2
2021
[55] In-depth first-principle study on novel MoS 2 polymorphs
RSC …, 2021
[56] Tuning MoSO monolayer properties for optoelectronic and spintronic applications: effect of external strain, vacancies and doping
Sanchez, V Van On… - RSC …, 2021
[57] Integrating omics and gene editing tools for rapid improvement of traditional food plants for diversified and sustainable food security
International Journal of …, 2021
[58] Metal dichalcogenide nanomeshes: structural, electronic and magnetic properties
Sayed, AA Maarouf… - Physical Chemistry …, 2021
[59] Tuning electronic properties of pentagonal PdSe 2 monolayer by applying external strain
2021
[60] Novel Two-Dimensional Layered MoSi2Z4 (Z= P, As): New Promising Optoelectronic Materials
2021
[61] First-Principles Study of Na Intercalation and Diffusion Mechanisms at 2D MoS2/Graphene Interfaces
2021
[62] 2D-MoS2 goes 3D: transferring optoelectronic properties of 2D MoS2 to a large-area thin film
2021
[63] Ultrafast charge dynamics and photoluminescence in bilayer MoS2
2021
[64] Recent Progress in the Synthesis of MoS2 Thin Films for Sensing, Photovoltaic and Plasmonic Applications: A Review
2021
[65] Electronic structure modification in two-dimensional pentagonal PdS2 by external strain
2021
[66] Linking Omics and Gene Editing Tools for Rapid Improvement of Traditional Food Plants for Diversified Foods and Sustainable Food Security
2021
[67] MoS2@ X2C (X= Mo or W) hybrids for enhanced supercapacitor and hydrogen evolution performances
2021
[68] In-depth first-principle study on novel MoS2 polymorphs
2021
[69] Electronic structure and fundamental properties of MoX2 (X= Te, Se and S) compound materials at high pressures and elevated temperatures
2021
[70] Structural, electronic and magnetic properties of S sites vacancy defects graphene/MoS2 van der Waals heterostructures: First-principles study
2021
[71] Two-Dimensional Transition Metal Dichalcogenide (TMD) Materials in Field-Effect Transistor (FET) Devices for Low Power Applications
… Devices and Technologies for Future Ultra …, 2021
[72] Spatiotemporal Carrier Dynamics of Molybdenum Disulfide Nanoflakes: A Detailed Investigation Using Pump-Probe Microscopy
2021
[73] Lattice Design for Non-Carbon Two-Dimensional Allotropic Modifications
2021
[74] Estudo teórico das propriedades eletrônicas, ópticas, vibracionais e termodinâmicas de monocamadas de TMDs do Tipo OsX2 (X= S, Se, Te) usando o formalismo …
2021
[75] On the optical properties and dynamical and mechanical stability of 1T PdSSe, PdSTe, and PdSeTe monolayers under biaxial strain
Materials Today Communications, 2021
[76] Defects of monolayer PbI 2: a computational study
Physical Chemistry Chemical Physics, 2021
[77] Semiconductor Devices and Technologies for Future Ultra Low Power Electronics
2021
[78] Computational Study of Adsorption behavior of CH4N2O and CH3OH on Fe decorated MoS2 monolayer
Solid State Electronics …, 2021
[79] Modeling of ZnO/MoS2/CZTS photovoltaic solar cell through window, buffer and absorber layers optimization
2021
[80] Chalcogenides
2020
[81] Optical and Electrical Characterization of n-MoS2/p-Si Heterojunction Diode
2020
[82] Strain and electric field dependent variation in electronic and thermoelectric properties of PtS2
2020
[83] Phonon Mediated Thermal Transport in Transition Metal Dichalcogenides
2020
[84] Electronic properties and low lattice thermal conductivity (κ l) of mono-layer (ML) MoS 2: FP-LAPW incorporated with spin–orbit coupling (SOC)
2020
[85] Two-dimensional few-layered PC 3 as a promising photocatalyst for overall water splitting
2020
[86] First Principle Study of Adsorption Behavior of PF 5 Gas Molecule on S and Mo Vacancy MoS 2 Monolayer
2020
[87] Band Gap Estimation of Multilayer 2D Semiconductor Channels Using Thin Graphite Contact
2020
[88] Effect of large work function modulation of MoS 2 by controllable chlorine doping using a remote plasma
2020
[89] Phase diagrams of single-layer two-dimensional transition metal dichalcogenides: Landau theory
2020
[90] Size-dependent electron chemical potential in nanostructures derived from statistical configuration
2020
[91] Size-dependent electron chemical potential in nanostructures derived fromstatistical configuration
Turkish Journal of …, 2020
[92] Tuning structural, electronic, and magnetic properties of C sites vacancy defects in graphene/MoS2 van der Waals heterostructure materials: A first-principles …
2020
[93] Experimental study of the diamagnetism and the ferromagnetism in MoS 2 thin films
2020
[94] Structure, electronic and magnetic properties of 2D Graphene-Molybdenum diSulphide (G-MoS2) Heterostructure (HS) with vacancy defects at Mo sites
2020
[95] Optical spectra of monolayer MoS2 from spin-polarized all electrons density-functional calculations
2020
[96] Modulation of electronic and transport properties of bilayer heterostructures: and -BN as the prototype
2020
[97] Electronic structure and dynamic properties of two-dimensional WxMo1− xS2 ternary alloys from first-principles calculations
2020
[98] 2D SnC Sheet with a Small Strain is a Promising Li Host Material for Li-ion Batteries
2020
[99] Straintronic effect for superconductivity enhancement in Li-intercalated bilayer MoS 2
2020
[100] Gate-Voltage Control of Quantum Yield in Monolayer Transition-Metal Dichalcogenide
2020
[101] Promising optoelectronic response of 2D monolayer MoS2: A first principles study
2020
[102] Something more than graphene–futuristic two-dimensional nanomaterials
2020
[103] Understanding and Predicting Properties of Low-dimensional Functional Materials from First-principles
2020
[104] Characterization, Exfoliation, and Applications of Boron Nitride and Molybdenum Disulfide from Compressible Flow Exfoliation
2020
[105] Something more than graphene--futuristic two-dimensional nanomaterials.
2020
[106] Master of Science Degree in Mechanical Engineering
2020
[107] Research Article Tuning Structural, Electronic, and Magnetic Properties of C Sites Vacancy Defects in Graphene/MoS2 van der Waals Heterostructure Materials …
2020
[108] Tuning Structural, Electronic, and Magnetic Properties of C Sites Vacancy Defects in Graphene/MoS2 van der Waals Heterostructure Materials: A First‐Principles …
Advances in Condensed Matter …, 2020
[109] Dependence of Electronic and Optical Properties of MoS 2 Multilayers on the Interlayer Coupling and Van Hove Singularity
2019
[110] Unusual Mechanism Behind Enhanced Photocatalytic Activity and Surface Passivation of SiC(0001) via Forming Heterostructure with a MoS2 Monolayer
2019
[111] Design and evaluation of piezoelectric response in a device based on liquid-phase exfoliated MoS2
2019
[112] Optical response and magnetic moment of MoS2 material
2019
[113] Titanium contacts to with interfacial oxide: Interface chemistry and thermal transport
2019
[114] Electronic and optical properties of 2D monolayer (ML) MoS2 with vacancy defect at S sites
2019
[115] Raman Spectra Shift of few-Layer IV-VI 2D Materials
2019
[116] Phase Diagrams of Single Layer Two-Dimensional Transition Metal Dichalcogenides: Landau Theory
2019
[117] Quantum nano-electronics in two-dimensional materials
2019
[118] Strain induced valley degeneracy: a route to the enhancement of thermoelectric properties of monolayer WS 2
2019
[119] Transition Metal Diboride: A New Family of Two-Dimensional Materials Designed for Selective CO2 Electroreduction
2019
[120] Dependence of Electronic and Optical Properties of MoS2 Multilayers on the Interlayer Coupling and Van Hove Singularity
2019
[121] Synergetic effect in RuxMo (1-x) S2/SBA-15 hydrodesulfurization catalysts: Comparative experimental and DFT studies
2019
[122] h-CaS and h-CaSe nanosheets in CaX (X = O, S, Se and Te) series: promising thermoelectric materials under DFT investigation
2019
[123] Polymeric tungsten carbide nanoclusters: structural evolution, ligand modulation, and assembled nanomaterials
2019
[124] A first-principles study of Cl2, PH3, AsH3, BBr3 and SF4 gas adsorption on MoS2 monolayer with S and Mo vacancy
2019
[125] Gate Voltage Control of Transition Metal Dichalcogenide Monolayers Quantum Yield
2019
[126] 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
2018
[127] KAgSe: A New Two-Dimensional Efficient Photovoltaic Material with Layer-Independent Behaviors
2018
[128] Comparative study of polytype 2H-MoS2 and 3R-MoS2 systems by employing DFT
Physica E: Low-dimensional Systems and Nanostructures, 2018
[129] Optical polarization and strain of few layer MoS2
2018
[130] Tunable electron and phonon properties of folded single-layer molybdenum disulfide
Nano Research, 2018
[131] Strained noble metal di chalcogenides PtX2 (X= S, Se) mono-layer: Ab initio study of electronic and lattice dynamic properties
Physica E: Low-dimensional Systems and Nanostructures, 2018
[132] 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
[133] Ab-initio study of structural and electronic properties of WS2/h-BN van der Waals heterostructure
Surface Science, 2018
[134] A two-band spinful kp Hamiltonian of monolayer MoS2 from a nine-band model based on group theory
Superlattices and Microstructures, 2018
[135] 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
[136] Field enhancement of MoS 2: visualization of the enhancement and effect of the number of layers
Nanoscale, 2018
[137] Enhancing interfacial charge transfer on novel 3D/1D multidimensional MoS2/TiO2 heterojunction toward efficient photoelectrocatalytic removal of levofloxacin
Electrochimica Acta, 2018
[138] Infrared and Raman active vibrational modes in MoS2‐based nanotubes: Symmetry analysis and first‐principles calculations
Journal of Computational Chemistry, 2018
[139] Density functional and Monte Carlo investigation of junction
Physical Review B, 2018
[140] Electrodeposition of Cu-Doped MoS2 for Charge Storage in Electrochemical Supercapacitors
2017
[141] Enhancement of the conversion efficiency of Cu2ZnSnS4 thin film solar cell through the optimization of some device parameters
Optik, 2017
[142] The effects of different possible modes of uniaxial strain on the tunability of electronic and band structures in $ $\text {MoS} _2 $ $ MoS2 monolayer nanosheet via first …
Pramana, 2017
[143] Infinitesimal base transformations method for calculating the kp Hamiltonian of monolayer MoS2
Superlattices and Microstructures, 2017
[144] First Principles Study of Molybdenum Disulfide Electronic Structure
Journal of Physics: Conference Series, 2017
[145] Strain and pH facilitated artificial photosynthesis in monolayer MoS2 nanosheet
Journal of Materials Chemistry A, 2017
[146] Tuning Optical Properties of MoS2 Bulk and Monolayer Under Compressive and Tensile Strain: A First Principles Study
Journal of Electronic Materials, 2017
[147] Exploring the electron density localization in single MoS2 monolayers by means of a localize-electrons detector and the quantum theory of atoms in …
AIP Conference Proceedings, 2017
[148] Enhancement of the conversion efficiency of Cu 2 ZnSnS 4 thin film solar cell through the optimization of some device parameters
Optik, 2017
[149] First principle study on the structure, electronic and optical properties of MoS2/AlN hybrid bilayer: A DFT investigation
AIP Conference Proceedings, 2017
[150] Effect of lattice strain on nanomaterials in energy applications: A perspective on experiment and theory
International Journal of Hydrogen Energy, 2017
[151] Strained rocksalt ScN: ab initio studies of electronic structure and lattice-dynamical properties
Materials Research Express, 2017
[152] Strain dependent tuning electronic properties of noble metal di chalcogenides PdX 2 (X= S, Se) monolayer
Materials Chemistry and Physics, 2017
[153] 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 Conference Proceedings, 2017
[154] Strain dependent tuning electronic properties of noble metal di chalcogenides PdX2 (X= S, Se) mono-layer
Materials Chemistry and Physics, 2017
[155] Structure électronique des interfaces Co (OOOl)/MoS2 et Ni (lll)/WSe2 pour l'injection de spin dans un semi-conducteur bidimensionnel
2017
[156] Transition Metal Coatings for Energy Conversion and Storage; Electrochemical and High Temperature Applications
2017
[157] Plasma Assisted Chemical Vapor Deposition of Molybdenum Disulfide Nanosheets
2017
[158] Comparison of Mo/MgO and Mo/γ-Al 2 O 3 catalysts: Impact of support on the structure and dibenzothiophene hydrodesulfurization reaction pathways
2016
[159] STUDY OFSINGLE AND FEW-LAYERS MoS2 CRYSTALS DEPARTMENT OF PHYSICS
2016
[160] Negative Electrocatalytic Effects of p-Doping Niobium and Tantalum on MoS2 and WS2 for the Hydrogen Evolution Reaction and Oxygen Reduction Reaction
ACS Catal., 2016
[161] Semiconducting and Optical Properties of Compact Graphene-Like Nanoparticles of Molybdenum Disulfide
Nanophysics, Nanomaterials, Interface Studies, and Applications, 2016
[162] 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
[163] Strain-engineering the anisotropic electrical conductance in ReS2 monolayer
Applied Physics Letters, 2016
[164] Predicting Structures and Properties of Transition Metal Dichalcogenide Alloys Using Density Functional Theory
2016
[165] Luminescence of 2D TMDC
Two-Dimensional Transition-Metal Dichalcogenides, 2016
[166] Recent Advances in the Study of Phosphorene and its Nanostructures
Journal of Aging & Social Policy, 2016
[167] Electronic excitation-induced semiconductor-to-metal transition in monolayer MoTe 2
Physical Review B, 2016
[168] The effect of uniaxial strain on the optical properties of monolayer molybdenum disulfide
Journal of Physics D: Applied Physics, 2016
[169] Physics and chemistry of oxidation of two‐dimensional nanomaterials by molecular oxygen
Wiley Interdisciplinary Reviews: Computational Molecular Science, 2016
[170] THz time‐domain spectroscopy and IR spectroscopy on MoS2
physica status solidi (b), 2016
[171] Calculation of the dynamic first electronic hyperpolarizability β(−ωσ; ω1, ω2) of periodic systems. Theory, validation, and application to multi-layer MoS2
AIP Conference Proceedings, 2015
[172] 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
[173] Versatile and scalable strategy to grow sol-gel derived 2H− MoS2 thin films with superior electronic properties: a memristive case.
[174] High Hole Mobilities in Two Dimensional Monolayer MSi2Z4 (M= Mo/W; Z= P, As, Sb) for Solar Cells
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