|
[1]
|
Highly selective nitrogen dioxide gas sensing of ReS2 nanosheets: A first-principles study
Applied Surface Science,
2023
DOI:10.1016/j.apsusc.2022.155388
|
|
|
|
|
[2]
|
Theoretical insights into the hydrogen oxidation reaction on single metal atoms anchored on the edge of MoS2 nanosheets
Computational Materials Science,
2023
DOI:10.1016/j.commatsci.2022.111921
|
|
|
|
|
[3]
|
Measuring the Bandgap of Ambipolar 2D Semiconductors using Multilayer Graphene Contact
Small Science,
2023
DOI:10.1002/smsc.202200075
|
|
|
|
|
[4]
|
Energy transfer and patterning characteristics in pulsed-laser subtractive manufacturing of single layer of MoS2
International Journal of Heat and Mass Transfer,
2023
DOI:10.1016/j.ijheatmasstransfer.2023.123873
|
|
|
|
|
[5]
|
Highly selective nitrogen dioxide gas sensing of ReS2 nanosheets: A first-principles study
Applied Surface Science,
2023
DOI:10.1016/j.apsusc.2022.155388
|
|
|
|
|
[6]
|
Energy transfer and patterning characteristics in pulsed-laser subtractive manufacturing of single layer of MoS2
International Journal of Heat and Mass Transfer,
2023
DOI:10.1016/j.ijheatmasstransfer.2023.123873
|
|
|
|
|
[7]
|
Layered Heterostructures Based on MoS2/MoSe2 Nanosheets Deposited on GaN Substrates for Photodetector Applications
ACS Applied Nano Materials,
2023
DOI:10.1021/acsanm.2c05314
|
|
|
|
|
[8]
|
Combined electronic excitation and knock-on damage in monolayer
MoS2
Physical Review B,
2023
DOI:10.1103/PhysRevB.107.094112
|
|
|
|
|
[9]
|
First-Principles Insights into the Relative Stability, Physical Properties, and Chemical Properties of MoSe2
ACS Omega,
2023
DOI:10.1021/acsomega.2c08217
|
|
|
|
|
[10]
|
Nanoscale homojunction thermoelectric generator built in defect-engineered
MoS2
Physical Review B,
2023
DOI:10.1103/PhysRevB.107.195411
|
|
|
|
|
[11]
|
Tuning of optical performance of CrS2 monolayer using strain engineering
Materials Today: Proceedings,
2023
DOI:10.1016/j.matpr.2023.05.205
|
|
|
|
|
[12]
|
Two-dimensional conjugated coordination polymer monolayer as anode material for lithium-ion batteries: A DFT study
Chinese Chemical Letters,
2023
DOI:10.1016/j.cclet.2023.108715
|
|
|
|
|
[13]
|
Structure, Stability, and Superconductivity of Two-Dimensional Janus NbSH Monolayers: A First-Principle Investigation
Molecules,
2023
DOI:10.3390/molecules28145522
|
|
|
|
|
[14]
|
Molecular modeling and simulation of transition metal–doped molybdenum disulfide biomarkers in exhaled gases for early detection of lung cancer
Journal of Molecular Modeling,
2023
DOI:10.1007/s00894-023-05638-w
|
|
|
|
|
[15]
|
A Density Functional Theory based study of Transition Metal Dichalcogenide - MoS2
Materials Today: Proceedings,
2022
DOI:10.1016/j.matpr.2022.06.012
|
|
|
|
|
[16]
|
Photocatalysis Using 2D Nanomaterials
2022
DOI:10.1039/9781839164620-00065
|
|
|
|
|
[17]
|
Elucidating the Structural, Electronic, Elastic, and Optical Properties of Bulk and Monolayer MoS2 Transition-Metal Dichalcogenides: A DFT Approach
ACS Omega,
2022
DOI:10.1021/acsomega.2c07030
|
|
|
|
|
[18]
|
Analyzing the electronic and optical properties of bulk, unstrained, and strained monolayers of SrS2 by DFT
Physica E: Low-dimensional Systems and Nanostructures,
2022
DOI:10.1016/j.physe.2022.115403
|
|
|
|
|
[19]
|
Revealing the electronic, optical, phonon and thermoelectrical characteristics of bulk and monolayered RbLiS and RbLiSe compounds by DFT
Journal of Physics and Chemistry of Solids,
2022
DOI:10.1016/j.jpcs.2022.110972
|
|
|
|
|
[20]
|
Photocatalysis Using 2D Nanomaterials
2022
DOI:10.1039/9781839164620-00065
|
|
|
|
|
[21]
|
A Density Functional Theory based study of Transition Metal Dichalcogenide - MoS2
Materials Today: Proceedings,
2022
DOI:10.1016/j.matpr.2022.06.012
|
|
|
|
|
[22]
|
Two-Dimensional lithium fluoride (LiF) as an efficient hydrogen storage material
Applied Surface Science,
2022
DOI:10.1016/j.apsusc.2021.151776
|
|
|
|
|
[23]
|
Elucidating the Structural, Electronic, Elastic, and Optical Properties of Bulk and Monolayer MoS2 Transition-Metal Dichalcogenides: A DFT Approach
ACS Omega,
2022
DOI:10.1021/acsomega.2c07030
|
|
|
|
|
[24]
|
High-throughput analysis of tetragonal transition metal Xenes
Physical Chemistry Chemical Physics,
2022
DOI:10.1039/D2CP04191J
|
|
|
|
|
[25]
|
Elucidating the Structural, Electronic, Elastic, and Optical Properties of Bulk and Monolayer MoS2 Transition-Metal Dichalcogenides: A DFT Approach
ACS Omega,
2022
DOI:10.1021/acsomega.2c07030
|
|
|
|
|
[26]
|
Adsorption, sensing, electronic and magnetic properties of phosgene (COCl2) molecule adsorbed on Nb-doped arsenene: First-principles study
Solid State Communications,
2022
DOI:10.1016/j.ssc.2022.114975
|
|
|
|
|
[27]
|
Exploring the structural stability, electronic and thermal attributes of synthetic 2D materials and their heterostructures
Applied Surface Science,
2022
DOI:10.1016/j.apsusc.2022.153131
|
|
|
|
|
[28]
|
Novel CuTe monolayer as promising anode material for Na-ion batteries: A theoretical study
Applied Surface Science,
2022
DOI:10.1016/j.apsusc.2021.151550
|
|
|
|
|
[29]
|
Revealing the electronic, optical, phonon and thermoelectrical characteristics of bulk and monolayered RbLiS and RbLiSe compounds by DFT
Journal of Physics and Chemistry of Solids,
2022
DOI:10.1016/j.jpcs.2022.110972
|
|
|
|
|
[30]
|
2D Molybdenum Sulfide‐Based Materials for Photo‐Excited Antibacterial Application
Advanced Healthcare Materials,
2022
DOI:10.1002/adhm.202200360
|
|
|
|
|
[31]
|
Design and exploring the structure, optical and electronic characteristics of silicon doped PS/MoS2 structures for electronics Nanodevices
Optical and Quantum Electronics,
2022
DOI:10.1007/s11082-022-03784-8
|
|
|
|
|
[32]
|
Analyzing the electronic and optical properties of bulk, unstrained, and strained monolayers of SrS2 by DFT
Physica E: Low-dimensional Systems and Nanostructures,
2022
DOI:10.1016/j.physe.2022.115403
|
|
|
|
|
[33]
|
Prediction of a novel 2D porous boron nitride material with excellent electronic, optical and catalytic properties
Physical Chemistry Chemical Physics,
2022
DOI:10.1039/D2CP02705D
|
|
|
|
|
[34]
|
Revealing the electronic, optical, phonon and thermoelectrical characteristics of bulk and monolayered RbLiS and RbLiSe compounds by DFT
Journal of Physics and Chemistry of Solids,
2022
DOI:10.1016/j.jpcs.2022.110972
|
|
|
|
|
[35]
|
A Density Functional Theory based study of Transition Metal Dichalcogenide - MoS2
Materials Today: Proceedings,
2022
DOI:10.1016/j.matpr.2022.06.012
|
|
|
|
|
[36]
|
High hole mobilities in two dimensional monolayer MSi2Z4 (M = Mo/W; Z = P, As, Sb) for solar cells
Journal of Materials Chemistry C,
2022
DOI:10.1039/D2TC03403D
|
|
|
|
|
[37]
|
Adsorption, sensing, electronic and magnetic properties of phosgene (COCl2) molecule adsorbed on Nb-doped arsenene: First-principles study
Solid State Communications,
2022
DOI:10.1016/j.ssc.2022.114975
|
|
|
|
|
[38]
|
Two-Dimensional lithium fluoride (LiF) as an efficient hydrogen storage material
Applied Surface Science,
2022
DOI:10.1016/j.apsusc.2021.151776
|
|
|
|
|
[39]
|
Strain-induced structural, elastic, and electronic properties of 1L-MoS2
Journal of Materials Research,
2022
DOI:10.1557/s43578-022-00714-y
|
|
|
|
|
[40]
|
High-throughput analysis of tetragonal transition metal Xenes
Physical Chemistry Chemical Physics,
2022
DOI:10.1039/D2CP04191J
|
|
|
|
|
[41]
|
Novel CuTe monolayer as promising anode material for Na-ion batteries: A theoretical study
Applied Surface Science,
2022
DOI:10.1016/j.apsusc.2021.151550
|
|
|
|
|
[42]
|
Flexible electronics based on 2D transition metal dichalcogenides
Journal of Materials Chemistry A,
2022
DOI:10.1039/D1TA06741A
|
|
|
|
|
[43]
|
Tuning electronic properties of pentagonal PdSe2 monolayer by applying external strain
Indian Journal of Physics,
2022
DOI:10.1007/s12648-021-02026-z
|
|
|
|
|
[44]
|
Exploring the structural stability, electronic and thermal attributes of synthetic 2D materials and their heterostructures
Applied Surface Science,
2022
DOI:10.1016/j.apsusc.2022.153131
|
|
|
|
|
[45]
|
First principle insight into co-doped MoS2 for sensing NH3 and CH4
Facta universitatis - series: Electronics and Energetics,
2022
DOI:10.2298/FUEE2201043C
|
|
|
|
|
[46]
|
Recent Progress in the Synthesis of MoS2 Thin Films for Sensing, Photovoltaic and Plasmonic Applications: A Review
Materials,
2021
DOI:10.3390/ma14123283
|
|
|
|
|
[47]
|
2D-MoS2 goes 3D: transferring optoelectronic properties of 2D MoS2 to a large-area thin film
npj 2D Materials and Applications,
2021
DOI:10.1038/s41699-021-00244-x
|
|
|
|
|
[48]
|
Electronic structure modification in two-dimensional pentagonal PdS2 by external strain
Canadian Journal of Physics,
2021
DOI:10.1139/cjp-2021-0063
|
|
|
|
|
[49]
|
Defects of monolayer PbI2: a computational study
Physical Chemistry Chemical Physics,
2021
DOI:10.1039/D1CP01246K
|
|
|
|
|
[50]
|
Metal dichalcogenide nanomeshes: structural, electronic and magnetic properties
Physical Chemistry Chemical Physics,
2021
DOI:10.1039/D1CP03743A
|
|
|
|
|
[51]
|
First Principle Study of Adsorption Behavior of PF5 Gas Molecule on S and Mo Vacancy MoS2 Monolayer
Journal of Electronic Materials,
2021
DOI:10.1007/s11664-020-08480-5
|
|
|
|
|
[52]
|
Catechol detection in pure and transition metal decorated 2D MoS2: Acumens from density functional theory approaches
Applied Surface Science,
2021
DOI:10.1016/j.apsusc.2021.150216
|
|
|
|
|
[53]
|
Tuning MoSO monolayer properties for optoelectronic and spintronic applications: effect of external strain, vacancies and doping
RSC Advances,
2021
DOI:10.1039/D1RA05639E
|
|
|
|
|
[54]
|
On the optical properties and dynamical and mechanical stability of 1T PdSSe, PdSTe, and PdSeTe monolayers under biaxial strain
Materials Today Communications,
2021
DOI:10.1016/j.mtcomm.2021.102735
|
|
|
|
|
[55]
|
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
|
|
|
|
|
[56]
|
Ultrafast charge dynamics and photoluminescence in bilayer MoS2
2D Materials,
2021
DOI:10.1088/2053-1583/abd6b5
|
|
|
|
|
[57]
|
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
|
|
|
|
|
[58]
|
In-depth first-principle study on novel MoS2 polymorphs
RSC Advances,
2021
DOI:10.1039/D0RA10443D
|
|
|
|
|
[59]
|
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,
2021
DOI:10.1142/S2047684121500093
|
|
|
|
|
[60]
|
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
|
|
|
|
|
[61]
|
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
|
|
|
|
|
[62]
|
Catechol detection in pure and transition metal decorated 2D MoS2: Acumens from density functional theory approaches
Applied Surface Science,
2021
DOI:10.1016/j.apsusc.2021.150216
|
|
|
|
|
[63]
|
2D-MoS2 goes 3D: transferring optoelectronic properties of 2D MoS2 to a large-area thin film
npj 2D Materials and Applications,
2021
DOI:10.1038/s41699-021-00244-x
|
|
|
|
|
[64]
|
Lattice Design for Non-Carbon Two-Dimensional Allotropic Modifications
Reviews on advanced materials and technologies,
2021
DOI:10.17586/2687-0568-2021-3-4-19-23
|
|
|
|
|
[65]
|
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
|
|
|
|
|
[66]
|
On the optical properties and dynamical and mechanical stability of 1T PdSSe, PdSTe, and PdSeTe monolayers under biaxial strain
Materials Today Communications,
2021
DOI:10.1016/j.mtcomm.2021.102735
|
|
|
|
|
[67]
|
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,
2020
DOI:10.1021/acs.jpcc.9b08740
|
|
|
|
|
[68]
|
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,
2020
DOI:10.1021/acs.jpcc.9b08740
|
|
|
|
|
[69]
|
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
|
|
|
|
|
[70]
|
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
|
|
|
|
|
[71]
|
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
|
|
|
|
|
[72]
|
Gate-Voltage Control of Quantum Yield in Monolayer Transition-Metal Dichalcogenide
Physical Review Applied,
2020
DOI:10.1103/PhysRevApplied.13.014040
|
|
|
|
|
[73]
|
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
|
|
|
|
|
[74]
|
Experimental study of the diamagnetism and the ferromagnetism in MoS2 thin films
Applied Physics A,
2020
DOI:10.1007/s00339-020-3286-1
|
|
|
|
|
[75]
|
Strain and electric field dependent variation in electronic and thermoelectric properties of PtS2
Results in Physics,
2020
DOI:10.1016/j.rinp.2020.103088
|
|
|
|
|
[76]
|
Two-dimensional few-layered PC3 as a promising photocatalyst for overall water splitting
Physical Chemistry Chemical Physics,
2020
DOI:10.1039/D0CP01392G
|
|
|
|
|
[77]
|
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
|
|
|
|
|
[78]
|
Phase diagrams of single-layer two-dimensional transition metal dichalcogenides: Landau theory
Physical Review B,
2020
DOI:10.1103/PhysRevB.101.195424
|
|
|
|
|
[79]
|
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
|
|
|
|
|
[80]
|
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
|
|
|
|
|
[81]
|
Theoretical Modeling of Inorganic Nanostructures
NanoScience and Technology,
2020
DOI:10.1007/978-3-030-42994-2_8
|
|
|
|
|
[82]
|
Promising optoelectronic response of 2D monolayer MoS2: A first principles study
Chemical Physics,
2020
DOI:10.1016/j.chemphys.2020.110824
|
|
|
|
|
[83]
|
Straintronic effect for superconductivity enhancement in Li-intercalated bilayer MoS2
Nanoscale Advances,
2020
DOI:10.1039/D0NA00420K
|
|
|
|
|
[84]
|
Optical spectra of monolayer MoS2 from spin-polarized all electrons density-functional calculations
Optik,
2020
DOI:10.1016/j.ijleo.2020.165477
|
|
|
|
|
[85]
|
2D SnC sheet with a small strain is a promising Li host material for Li-ion batteries
Materials Today Communications,
2020
DOI:10.1016/j.mtcomm.2020.101768
|
|
|
|
|
[86]
|
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
|
|
|
|
|
[87]
|
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
|
|
|
|
|
[88]
|
Optical response and magnetic moment of MoS2 material
Optik,
2019
DOI:10.1016/j.ijleo.2019.164080
|
|
|
|
|
[89]
|
Polymeric tungsten carbide nanoclusters: structural evolution, ligand modulation, and assembled nanomaterials
Nanoscale,
2019
DOI:10.1039/C9NR05613K
|
|
|
|
|
[90]
|
Raman Spectra Shift of Few-Layer IV-VI 2D Materials
Scientific Reports,
2019
DOI:10.1038/s41598-019-55577-x
|
|
|
|
|
[91]
|
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
|
|
|
|
|
[92]
|
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
|
|
|
|
|
[93]
|
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
|
|
|
|
|
[94]
|
Strain induced valley degeneracy: a route to the enhancement of thermoelectric properties of monolayer WS2
RSC Advances,
2019
DOI:10.1039/C9RA04470A
|
|
|
|
|
[95]
|
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
|
|
|
|
|
[96]
|
Titanium contacts to
MoS2
with interfacial oxide: Interface chemistry and thermal transport
Physical Review Materials,
2019
DOI:10.1103/PhysRevMaterials.3.104001
|
|
|
|
|
[97]
|
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
|
|
|
|
|
[98]
|
Enhancing interfacial charge transfer on novel 3D/1D multidimensional MoS2/TiO2 heterojunction toward efficient photoelectrocatalytic removal of levofloxacin
Electrochimica Acta,
2019
DOI:10.1016/j.electacta.2018.10.153
|
|
|
|
|
[99]
|
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
|
|
|
|
|
[100]
|
Raman Spectra Shift of Few-Layer IV-VI 2D Materials
Scientific Reports,
2019
DOI:10.1038/s41598-019-55577-x
|
|
|
|
|
[101]
|
Raman Spectra Shift of Few-Layer IV-VI 2D Materials
Scientific Reports,
2019
DOI:10.1038/s41598-019-55577-x
|
|
|
|
|
[102]
|
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
|
|
|
|
|
[103]
|
KAgSe: A New Two-Dimensional Efficient Photovoltaic Material with Layer-Independent Behaviors
ACS Applied Materials & Interfaces,
2018
DOI:10.1021/acsami.8b16505
|
|
|
|
|
[104]
|
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
|
|
|
|
|
[105]
|
KAgSe: A New Two-Dimensional Efficient Photovoltaic Material with Layer-Independent Behaviors
ACS Applied Materials & Interfaces,
2018
DOI:10.1021/acsami.8b16505
|
|
|
|
|
[106]
|
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
|
|
|
|
|
[107]
|
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
DOI:10.1016/j.physe.2017.09.016
|
|
|
|
|
[108]
|
Ab-initio study of structural and electronic properties of WS 2 /h-BN van der Waals heterostructure
Surface Science,
2018
DOI:10.1016/j.susc.2018.03.001
|
|
|
|
|
[109]
|
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
|
|
|
|
|
[110]
|
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
|
|
|
|
|
[111]
|
Density functional and Monte Carlo investigation of
FeNi/MoS2
junction
Physical Review B,
2018
DOI:10.1103/PhysRevB.98.125423
|
|
|
|
|
[112]
|
Infrared and Raman active vibrational modes in MoS2
-based nanotubes: Symmetry analysis and first-principles calculations
Journal of Computational Chemistry,
2018
DOI:10.1002/jcc.25530
|
|
|
|
|
[113]
|
Field enhancement of MoS2: visualization of the enhancement and effect of the number of layers
Nanoscale,
2018
DOI:10.1039/C8NR05650A
|
|
|
|
|
[114]
|
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
|
|
|
|
|
[115]
|
Nanophysics, Nanomaterials, Interface Studies, and Applications
Springer Proceedings in Physics,
2017
DOI:10.1007/978-3-319-56422-7_65
|
|
|
|
|
[116]
|
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
|
|
|
|
|
[117]
|
Strain and pH facilitated artificial photosynthesis in monolayer MoS2 nanosheets
J. Mater. Chem. A,
2017
DOI:10.1039/C7TA06747J
|
|
|
|
|
[118]
|
Physics and chemistry of oxidation of two-dimensional nanomaterials by molecular oxygen
Wiley Interdisciplinary Reviews: Computational Molecular Science,
2017
DOI:10.1002/wcms.1280
|
|
|
|
|
[119]
|
Recent Advances in the Study of Phosphorene and its Nanostructures
Critical Reviews in Solid State and Materials Sciences,
2017
DOI:10.1080/10408436.2016.1182469
|
|
|
|
|
[120]
|
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
|
|
|
|
|
[121]
|
Strained rocksalt ScN:ab initiostudies of electronic structure and lattice-dynamical properties
Materials Research Express,
2017
DOI:10.1088/2053-1591/aa6d01
|
|
|
|
|
[122]
|
Strain dependent tuning electronic properties of noble metal di chalcogenides PdX 2 (X = S, Se) mono-layer
Materials Chemistry and Physics,
2017
DOI:10.1016/j.matchemphys.2017.05.060
|
|
|
|
|
[123]
|
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
|
|
|
|
|
[124]
|
First principle study on the structure, electronic and optical properties of MoS2/AlN hybrid bilayer: A DFT investigation
2017
DOI:10.1063/1.4980712
|
|
|
|
|
[125]
|
Effect of lattice strain on nanomaterials in energy applications: A perspective on experiment and theory
International Journal of Hydrogen Energy,
2017
DOI:10.1016/j.ijhydene.2017.03.142
|
|
|
|
|
[126]
|
First Principles Study of Molybdenum Disulfide Electronic Structure
Journal of Physics: Conference Series,
2017
DOI:10.1088/1742-6596/877/1/012026
|
|
|
|
|
[127]
|
Tunable electron and phonon properties of folded single-layer molybdenum disulfide
Nano Research,
2017
DOI:10.1007/s12274-017-1770-5
|
|
|
|
|
[128]
|
Electrodeposition of Cu-Doped MoS
2
for Charge Storage in Electrochemical Supercapacitors
Journal of The Electrochemical Society,
2017
DOI:10.1149/2.0421712jes
|
|
|
|
|
[129]
|
Infinitesimal base transformations method for calculating the k.p Hamiltonian of monolayer MoS 2
Superlattices and Microstructures,
2017
DOI:10.1016/j.spmi.2017.08.046
|
|
|
|
|
[130]
|
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
|
|
|
|
|
[131]
|
Strain-engineering the anisotropic electrical conductance in ReS2 monolayer
Applied Physics Letters,
2016
DOI:10.1063/1.4947195
|
|
|
|
|
[132]
|
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
DOI:10.1021/acscatal.6b01593
|
|
|
|
|
[133]
|
Electronic excitation-induced semiconductor-to-metal transition in monolayerMoTe2
Physical Review B,
2016
DOI:10.1103/PhysRevB.94.094114
|
|
|
|
|
[134]
|
THz time-domain spectroscopy and IR spectroscopy on MoS2
physica status solidi (b),
2016
DOI:10.1002/pssb.201600281
|
|
|
|
|
[135]
|
The effect of uniaxial strain on the optical properties of monolayer molybdenum disulfide
Journal of Physics D: Applied Physics,
2016
DOI:10.1088/0022-3727/49/45/455103
|
|
|
|
|
[136]
|
Two-Dimensional Transition-Metal Dichalcogenides
Springer Series in Materials Science,
2016
DOI:10.1007/978-3-319-31450-1_8
|
|
|
|
|
[137]
|
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
DOI:10.1007/s13762-016-0949-8
|
|
|
|
|
[138]
|
Interfacial effect on the electrochemical properties of the layered graphene/metal sulfide composites as anode materials for Li-ion batteries
Surface Science,
2016
DOI:10.1016/j.susc.2016.03.018
|
|
|
|
|
[139]
|
Strain-engineering the anisotropic electrical conductance in ReS2 monolayer
Applied Physics Letters,
2016
DOI:10.1063/1.4947195
|
|
|
|
|
[140]
|
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
DOI:10.1021/acscatal.6b01593
|
|
|
|
|
[141]
|
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
|
|
|
|
|
[142]
|
Calculation of the dynamic first electronic hyperpolarizability β(−ω
σ; ω1, ω2) of periodic systems. Theory, validation, and application to multi-layer MoS2
The Journal of Chemical Physics,
2015
DOI:10.1063/1.4937770
|
|
|
|