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Functionalization of Single-Layer MoS 2 Honeycomb Structures

https://doi.org/10.1021/jp2000442

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Ab Initio Study of the H2–H2S/MoS2 Gas–Solid Interface: The Nature of the Catalytically Active Sites

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Atomic-Scale Structure of Co–Mo–S Nanoclusters in Hydrotreating Catalysts

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Single-layer MoS2

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Further studies of the photoelectrochemical properties of the group VI transition metal dichalcogenides

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A fast and robust algorithm for Bader decomposition of charge density

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Atomic-scale insight into structure and morphology changes of MoS2 nanoclusters in hydrotreating catalysts

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On the incorporation of nickel and cobalt into MoS2-edge structures

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A density functional theory study of the hydrogenolysis and elimination reactions of C2H5SH on the catalytically active (100) edge of 2H-MoS2

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The hydrogenation and direct desulfurization reaction pathway in thiophene hydrodesulfurization over MoS2 catalysts at realistic conditions: A density functional study

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Location and coordination of promoter atoms in Co- and Ni-promoted MoS2-based hydrotreating catalysts

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Applications of metal and semiconductor nanoclusters as thermal and photo-catalysts

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Detailed photocurrent spectroscopy of the semiconducting group VIB transition metal dichalcogenides

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Biomimetic Hydrogen Evolution: MoS 2 Nanoparticles as Catalyst for Hydrogen Evolution

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MoS 2 Nanoribbons: High Stability and Unusual Electronic and Magnetic Properties

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Electronic Properties of MoS 2 Nanoparticles

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Mechanical and Electronic Properties of MoS2 Nanoribbons and Their Defects

inferredcites →https://doi.org/10.1021/jp807705yopenalex-snapshot

Density Functional Theory Study of CO Hydrogenation on a MoS2 Surface

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A Computational Chemistry Study on Friction of h-MoS2. Part I. Mechanism of Single Sheet Lubrication

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Emerging Photoluminescence in Monolayer MoS 2

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Anomalous Lattice Vibrations of Single- and Few-Layer MoS 2

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Direct evidence for atomic defects in graphene layers

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Bandgap opening in graphene induced by patterned hydrogen adsorption

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Single-layer MoS2 transistors

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Hybrid functionals based on a screened Coulomb potential

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Electronic Population Analysis on LCAO–MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies

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High-capacity hydrogen storage by metallized graphene

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Density functional study of the adsorption and van der Waals binding of aromatic and conjugated compounds on the basal plane of MoS2

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Magnetization of graphane by dehydrogenation

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Adsorption of carbon adatoms to graphene and its nanoribbons

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Two-dimensional atomic crystals

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A study of single-layer and restacked MoS2by X-ray diffraction and X-ray absorption spectroscopy

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The SIESTA method for ab initio order- N materials simulation

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Metallic and ferromagnetic edges in molybdenum disulfide nanoribbons

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Special points for Brillouin-zone integrations

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Structure of single-molecular-layer MoS2

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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

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Ab initio molecular dynamics for liquid metals

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Superlubricity of molybdenum disulphide

inferredcites →https://doi.org/10.1103/physrevb.48.4978.2openalex-snapshot

Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

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Projector augmented-wave method

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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

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Local defects and ferromagnetism in graphene layers

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Quasiparticle band structure based on a generalized Kohn-Sham scheme

inferredcites →https://doi.org/10.1103/physrevb.76.245323openalex-snapshot

Atomic and electronic structures of doped silicon nanowires: A first-principles study

inferredcites →https://doi.org/10.1103/physrevb.77.104105openalex-snapshot

First-principles determination of static potential energy surfaces for atomic friction in Mo S 2 and Mo O 3

inferredcites →https://doi.org/10.1103/physrevb.77.195428openalex-snapshot

Vacancy-induced magnetism in graphene and graphene ribbons

inferredcites →https://doi.org/10.1103/physrevb.77.235430openalex-snapshot

First-principles study of metal adatom adsorption on graphene

inferredcites →https://doi.org/10.1103/physrevb.78.134104openalex-snapshot

Ab initiostudy of bilateral doping within the MoS2-NbS2 system

inferredcites →https://doi.org/10.1103/physrevb.78.235435openalex-snapshot

First-principles approach to monitoring the band gap and magnetic state of a graphene nanoribbon via its vacancies

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inferredcites →https://doi.org/10.1103/physrevb.79.115409openalex-snapshot

Electronic structure of two-dimensional crystals from ab initio theory

inferredcites →https://doi.org/10.1103/physrevb.80.155453openalex-snapshot

Monolayer honeycomb structures of group-IV elements and III-V binary compounds: First-principles calculations

inferredcites →https://doi.org/10.1103/physrevb.81.205417openalex-snapshot

Electronic and magnetic properties of graphane nanoribbons

inferredcites →https://doi.org/10.1103/physrevb.82.165402openalex-snapshot

Functionalization of BN honeycomb structure by adsorption and substitution of foreign atoms

inferredcites →https://doi.org/10.1103/physrevb.83.115432openalex-snapshot

Structures of fluorinated graphene and their signatures

inferredcites →https://doi.org/10.1103/physrevb.83.235417openalex-snapshot

Perpendicular growth of carbon chains on graphene from first-principles

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Friction at Atomic-Scale Surface Steps: Experiment and Theory

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Two- and One-Dimensional Honeycomb Structures of Silicon and Germanium

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Atomically Thin MoS 2 : A New Direct-Gap Semiconductor

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Ground State of the Electron Gas by a Stochastic Method

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Adsorption of Thiophene on the Catalytically Active Surface of MoS2 : AnAb InitioLocal-Density-Functional Study

inferredcites →https://doi.org/10.1103/physrevlett.84.951openalex-snapshot

Atomic-Scale Structure of Single-Layer MoS 2 Nanoclusters

inferredcites →https://doi.org/10.1103/physrevlett.87.196803openalex-snapshot

One-Dimensional Metallic Edge States in MoS 2

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inferredcites →https://doi.org/10.1103/physrevlett.99.116802openalex-snapshot

Diluted Graphene Antiferromagnet

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Electric Field Effect in Atomically Thin Carbon Films

inferredcites →https://doi.org/10.1126/science.1141483openalex-snapshot

Identification of Active Edge Sites for Electrochemical H 2 Evolution from MoS 2 Nanocatalysts

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Frictional Characteristics of Atomically Thin Sheets

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Two-Dimensional Nanosheets Produced by Liquid Exfoliation of Layered Materials

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Molybdenum disulfide nanomaterials: Structures, properties, synthesis and recent progress on hydrogen evolution reaction

inferred← citeshttps://doi.org/10.1016/j.apmt.2026.103360openalex-snapshot

Interfacial charge transfer and p–p heterojunction formation in MoS2@SWCNT mixed-dimensional architectures for humidity transduction

inferred← citeshttps://doi.org/10.1016/j.apsusc.2014.12.024openalex-snapshot

CO catalytic oxidation on iron-embedded monolayer MoS2

inferred← citeshttps://doi.org/10.1016/j.apsusc.2014.12.134openalex-snapshot

Functional MoS2 by the Co/Ni doping as the catalyst for oxygen reduction reaction

inferred← citeshttps://doi.org/10.1016/j.apsusc.2015.11.134openalex-snapshot

First-principles study of the origin of magnetism induced by intrinsic defects in monolayer MoS2

inferred← citeshttps://doi.org/10.1016/j.apsusc.2015.12.142openalex-snapshot

Modulating electronic, magnetic and chemical properties of MoS2 monolayer sheets by substitutional doping with transition metals

inferred← citeshttps://doi.org/10.1016/j.apsusc.2016.02.230openalex-snapshot

Formaldehyde molecule adsorption on the doped monolayer MoS2: A first-principles study

inferred← citeshttps://doi.org/10.1016/j.apsusc.2016.04.063openalex-snapshot

Electronic and magnetic properties of 1T-HfS2 by doping transition-metal atoms

inferred← citeshttps://doi.org/10.1016/j.apsusc.2016.04.171openalex-snapshot

The adsorption of CO and NO on the MoS2 monolayer doped with Au, Pt, Pd, or Ni: A first-principles study

inferred← citeshttps://doi.org/10.1016/j.apsusc.2016.06.147openalex-snapshot

Interface modification of MoS2/SiO2 leading to conversion of conduction type of MoS2

inferred← citeshttps://doi.org/10.1016/j.apsusc.2017.04.157openalex-snapshot

First-principles investigations of metal (V, Nb, Ta)-doped monolayer MoS2: Structural stability, electronic properties and adsorption of gas molecules

inferred← citeshttps://doi.org/10.1016/j.apsusc.2017.09.128openalex-snapshot

Effects of dopant separation on electronic states and magnetism in monolayer MoS2

inferred← citeshttps://doi.org/10.1016/j.apsusc.2018.01.036openalex-snapshot

Adsorption of phenol and hydrazine upon pristine and X-decorated (X = Sc, Ti, Cr and Mn) MoS2 monolayer

inferred← citeshttps://doi.org/10.1016/j.apsusc.2018.06.032openalex-snapshot

Adsorption and diffusion of lithium on heteroatom-doped monolayer molybdenum disulfide

inferred← citeshttps://doi.org/10.1016/j.apsusc.2018.09.046openalex-snapshot

Edge-doping effects on the electronic and magnetic properties of zigzag germanium selenide nanoribbon

inferred← citeshttps://doi.org/10.1016/j.apsusc.2019.04.175openalex-snapshot

Adsorption of formaldehyde on transition metal doped monolayer MoS2: A DFT study

inferred← citeshttps://doi.org/10.1016/j.apsusc.2019.05.197openalex-snapshot

A first-principles study of Cl2, PH3, AsH3, BBr3 and SF4 gas adsorption on MoS2 monolayer with S and Mo vacancy

inferred← citeshttps://doi.org/10.1016/j.apsusc.2019.05.215openalex-snapshot

Revealing the failure mechanism and designing protection approach for MoS2 in humid environment by first-principles investigation

inferred← citeshttps://doi.org/10.1016/j.apsusc.2019.06.075openalex-snapshot

Gas sensing performances and mechanism at atomic level of Au-MoS2 microspheres

inferred← citeshttps://doi.org/10.1016/j.apsusc.2019.06.119openalex-snapshot

Defect induced magnetism in monolayer HfSe2: An ab initio study

inferred← citeshttps://doi.org/10.1016/j.apsusc.2019.143692openalex-snapshot

Controlling magnetism of monolayer Janus MoSSe by embedding transition-metal atoms

inferred← citeshttps://doi.org/10.1016/j.apsusc.2019.144402openalex-snapshot

Nanotribological properties of 2-D MoS2 on different substrates made by atomic layer deposition (ALD)

inferred← citeshttps://doi.org/10.1016/j.apsusc.2020.145817openalex-snapshot

Bandstructure engineering in 2D materials using Ferroelectric materials

inferred← citeshttps://doi.org/10.1016/j.apsusc.2020.146179openalex-snapshot

RETRACTED: Structural, electronic and magnetic properties of the Ni/Cu-embedded S-vacancy defective MoS2 monolayers and their effects on the adsorption of SOx and O3 molecules

inferred← citeshttps://doi.org/10.1016/j.apsusc.2020.147039openalex-snapshot

Small molecule gas adsorption onto blue phosphorene oxide layers

inferred← citeshttps://doi.org/10.1016/j.apsusc.2020.148556openalex-snapshot

N-doping enabled defect-engineering of MoS2 for enhanced and selective adsorption of CO2: A DFT approach

inferred← citeshttps://doi.org/10.1016/j.apsusc.2021.149395openalex-snapshot

Nitrobenzene sensing in pristine and metal doped 2D dichalcogenide MoS2: Insights from density functional theory investigations

inferred← citeshttps://doi.org/10.1016/j.apsusc.2021.150216openalex-snapshot

Catechol detection in pure and transition metal decorated 2D MoS2: Acumens from density functional theory approaches

inferred← citeshttps://doi.org/10.1016/j.apsusc.2021.150270openalex-snapshot

Microscopic and atomistic mechanisms of sliding friction of MoS2: Effects of undissociated and dissociated H2O

inferred← citeshttps://doi.org/10.1016/j.apsusc.2021.151377openalex-snapshot

The promotion of sulfuric vacancy in two-dimensional molybdenum disulfide on the sensing performance of SF6 decomposition components

inferred← citeshttps://doi.org/10.1016/j.apsusc.2025.163442openalex-snapshot

Surface self-assembly of gold nanoparticles on graphite driven by ion-irradiation-induced atomic defects

inferred← citeshttps://doi.org/10.1016/j.bej.2018.09.016openalex-snapshot

Development of an effective electrochemical platform for highly sensitive DNA detection using MoS2 - polyaniline nanocomposites

inferred← citeshttps://doi.org/10.1016/j.bios.2016.03.044openalex-snapshot

Nucleic acid-functionalized transition metal nanosheets for biosensing applications

inferred← citeshttps://doi.org/10.1016/j.bios.2016.09.012openalex-snapshot

A fluorescence turn-on biosensor based on graphene quantum dots (GQDs) and molybdenum disulfide (MoS2) nanosheets for epithelial cell adhesion molecule (EpCAM) detection

inferred← citeshttps://doi.org/10.1016/j.cap.2018.04.019openalex-snapshot

Ab initio study of adsorption behaviors of molecular adsorbates on the surface and at the edge of MoS2

inferred← citeshttps://doi.org/10.1016/j.carbon.2016.06.072openalex-snapshot

Graphene and MoS2 interacting with water: A comparison by ab initio calculations

inferred← citeshttps://doi.org/10.1016/j.ccr.2020.213469openalex-snapshot

Surface coordination chemistry of graphene: Understanding the coordination of single transition metal atoms

inferred← citeshttps://doi.org/10.1016/j.ccr.2023.215504openalex-snapshot

Structural regulation and application of transition metal dichalcogenide monolayers: Progress and challenges

inferred← citeshttps://doi.org/10.1016/j.cej.2024.155641openalex-snapshot

Mechanical-vibration-driven piezocatalytic degradation of organic pollutants over microcrystalline SnSe with selenium vacancies

inferred← citeshttps://doi.org/10.1016/j.ceramint.2019.11.022openalex-snapshot

The superlattice structure and self-adaptive performance of C–Ti/MoS2 composite coatings

inferred← citeshttps://doi.org/10.1016/j.chemphys.2016.01.009openalex-snapshot

Effect of biaxial strain and external electric field on electronic properties of MoS 2 monolayer: A first-principle study

inferred← citeshttps://doi.org/10.1016/j.chemphys.2017.03.014openalex-snapshot

A theoretical study for electronic and transport properties of covalent functionalized MoS2 monolayer

inferred← citeshttps://doi.org/10.1016/j.chemphys.2019.110501openalex-snapshot

Understanding ferromagnetism in Ni-doped MoS2 monolayer from first principles

inferred← citeshttps://doi.org/10.1016/j.chemphys.2020.111043openalex-snapshot

S vacancy enhanced ferromagnetism in Mn-doped monolayer MoS2: A hybrid functional study

inferred← citeshttps://doi.org/10.1016/j.chemphys.2021.111440openalex-snapshot

Defect modulated electronic structure and magnetism in the 1T′ phase of Janus MoSSe

inferred← citeshttps://doi.org/10.1016/j.chemphys.2025.112769openalex-snapshot

Magnetic properties of transition elements adsorbed B2S2 monolayers

inferred← citeshttps://doi.org/10.1016/j.chemphys.2026.113511openalex-snapshot

Exploring the strain based modulation of Opto-electronic and thermoelectric response of OYGeN2 (YMo, W) monolayers

inferred← citeshttps://doi.org/10.1016/j.chphma.2026.05.002openalex-snapshot

Magnetic moment enhanced CO catalytic oxidation on transition metal (Fe, Co, Ni) doped MoS2: A DFT study

inferred← citeshttps://doi.org/10.1016/j.cocom.2020.e00488openalex-snapshot

Optoelectronic properties of pristine antimonene, phosphorene and their binary compound

inferred← citeshttps://doi.org/10.1016/j.cocom.2025.e01031openalex-snapshot

First-principles study of a MoS 2 /h-BN heterostructure with vacancy defects

inferred← citeshttps://doi.org/10.1016/j.commatsci.2014.07.055openalex-snapshot

Theoretical insights into the electronic and magnetic behaviors of the metal substituted 1H-MoS2 systems: Their potential towards CO adsorption and sensing

inferred← citeshttps://doi.org/10.1016/j.commatsci.2015.05.021openalex-snapshot

Electronic structures and magnetic properties in nonmetallic element substituted MoS2 monolayer

inferred← citeshttps://doi.org/10.1016/j.commatsci.2016.04.036openalex-snapshot

First-principles study of monolayer MoS2 with deficient and excessive Mo and S (n= −3 → 3) clusters on 5 × 5 supercells

inferred← citeshttps://doi.org/10.1016/j.commatsci.2016.11.030openalex-snapshot

Electronic and magnetic properties of Re-doped single-layer MoS2: A DFT study

inferred← citeshttps://doi.org/10.1016/j.commatsci.2016.12.008openalex-snapshot

Magnetism and magnetocrystalline anisotropy in vacancy doped and (non)metal adsorbed single-layer PtSe2

inferred← citeshttps://doi.org/10.1016/j.commatsci.2017.03.030openalex-snapshot

Hybrid triazine-based graphitic carbon nitride and molybdenum disulfide bilayer with and without Li/Mg intercalation: Structural, electronic and optical properties

inferred← citeshttps://doi.org/10.1016/j.commatsci.2017.06.029openalex-snapshot

A DFT study of transition metal (Fe, Co, Ni, Cu, Ag, Au, Rh, Pd, Pt and Ir)-embedded monolayer MoS2 for gas adsorption

inferred← citeshttps://doi.org/10.1016/j.commatsci.2017.09.002openalex-snapshot

Point defects in buckled and asymmetric washboard phases of arsenic phosphorus: A first principles study

inferred← citeshttps://doi.org/10.1016/j.commatsci.2019.04.016openalex-snapshot

Electric field tunable electronic properties of P-ZnO and SiC-ZnO van der Waals heterostructures

inferred← citeshttps://doi.org/10.1016/j.commatsci.2022.111921openalex-snapshot

Theoretical insights into the hydrogen oxidation reaction on single metal atoms anchored on the edge of MoS2 nanosheets

inferred← citeshttps://doi.org/10.1016/j.compstruct.2020.112978openalex-snapshot

Electronic and optical properties of graphene/molybdenite bilayer composite

inferred← citeshttps://doi.org/10.1016/j.comptc.2017.01.026openalex-snapshot

Tuning CO sensing properties and magnetism of MoS2 monolayer through anchoring transition metal dopants

inferred← citeshttps://doi.org/10.1016/j.comptc.2020.112935openalex-snapshot

Theoretical study of the adsorption behaviors of gas molecules on the Au-functionalized MoS2 nanosheets: A search for highly efficient gas sensors

inferred← citeshttps://doi.org/10.1016/j.comptc.2021.113445openalex-snapshot

Density functional theory based HSE06 calculations to probe the effects of defect on electronic properties of monolayer TMDCs

inferred← citeshttps://doi.org/10.1016/j.cossms.2016.10.003openalex-snapshot

Magnetic two-dimensional systems

inferred← citeshttps://doi.org/10.1016/j.cplett.2013.10.034openalex-snapshot

Tunable sulfur desorption in exfoliated MoS2 by means of thermal annealing in ultra-high vacuum

inferred← citeshttps://doi.org/10.1016/j.cplett.2014.01.043openalex-snapshot

Gas adsorption on MoS2 monolayer from first-principles calculations

inferred← citeshttps://doi.org/10.1016/j.cplett.2016.11.007openalex-snapshot

The prospect of sensitizing organic dyes attached to the MoS2 surface: Physical insights from density functional theory investigations

inferred← citeshttps://doi.org/10.1016/j.cplett.2017.08.064openalex-snapshot

Tuning electronic and magnetic properties in monolayer MoSe2 by metal adsorption

inferred← citeshttps://doi.org/10.1016/j.cplett.2018.11.054openalex-snapshot

Adsorption for SO2 gas molecules on B, N, P and Al doped MoS2: The DFT study

inferred← citeshttps://doi.org/10.1016/j.desal.2023.117270openalex-snapshot

Structure engineering of MoS2 for desalination

inferred← citeshttps://doi.org/10.1016/j.ensm.2020.11.004openalex-snapshot

Application of two-dimensional materials as anodes for rechargeable metal-ion batteries: A comprehensive perspective from density functional theory simulations

inferred← citeshttps://doi.org/10.1016/j.est.2026.122316openalex-snapshot

Advancing hydrogen storage with functionalized carbon nanoribbons

inferred← citeshttps://doi.org/10.1016/j.ijbiomac.2021.08.215openalex-snapshot

Investigation on conformational variation and fibrillation of human serum albumin affected by molybdenum disulfide quantum dots

inferred← citeshttps://doi.org/10.1016/j.ijheatmasstransfer.2023.123873openalex-snapshot

Energy transfer and patterning characteristics in pulsed-laser subtractive manufacturing of single layer of MoS2

inferred← citeshttps://doi.org/10.1016/j.jallcom.2014.06.018openalex-snapshot

Effect of vacancies on structural, electronic and optical properties of monolayer MoS2: A first-principles study

inferred← citeshttps://doi.org/10.1016/j.jallcom.2015.05.175openalex-snapshot

Tuning magnetic properties of CrS2 monolayer by doping transition metal and alkaline-earth atoms

inferred← citeshttps://doi.org/10.1016/j.jallcom.2015.09.160openalex-snapshot

Electronic and magnetic properties of X-doped (X = Ti, Zr, Hf) tungsten disulphide monolayer

inferred← citeshttps://doi.org/10.1016/j.jallcom.2016.07.331openalex-snapshot

Characteristics of n- and p-type dopants in 1T-HfS2 monolayer

inferred← citeshttps://doi.org/10.1016/j.jallcom.2016.11.043openalex-snapshot

Induced magnetism in transition metal-doped 1T-ZrS2

inferred← citeshttps://doi.org/10.1016/j.jallcom.2016.12.260openalex-snapshot

Magnetic doping in two-dimensional transition-metal dichalcogenide zirconium diselenide

inferred← citeshttps://doi.org/10.1016/j.jallcom.2017.10.014openalex-snapshot

Effect of structural defects on electronic and magnetic properties in pristine and Cr-doped HfS2 monolayer

inferred← citeshttps://doi.org/10.1016/j.jmmm.2016.04.050openalex-snapshot

Electronic and magnetic properties of X-doped (X=Ni, Pd, Pt) WS2 monolayer

inferred← citeshttps://doi.org/10.1016/j.jmmm.2016.08.088openalex-snapshot

Magnetic control of single transition metal doped MoS2 through H/F chemical decoration

inferred← citeshttps://doi.org/10.1016/j.jmmm.2017.07.042openalex-snapshot

Development of spontaneous magnetism and half-metallicity in monolayer MoS2

inferred← citeshttps://doi.org/10.1016/j.jmmm.2022.169567openalex-snapshot

Transition metal substituted MoS2/WS2 van der Waals heterostructure for realization of dilute magnetic semiconductors

inferred← citeshttps://doi.org/10.1016/j.jmmm.2023.171385openalex-snapshot

Tunable the electronic and magnetic properties of monolayer Mo8S12 via defects and 3d transition metal substitutional doping

inferred← citeshttps://doi.org/10.1016/j.jpcs.2018.11.021openalex-snapshot

Theoretical investigation of electronic structure and thermoelectric properties of MX2 (M=Zr, Hf; X=S, Se) van der Waals heterostructures

inferred← citeshttps://doi.org/10.1016/j.jpcs.2019.109156openalex-snapshot

Unraveling the stacking effect and stability in nanocrystalline antimony through DFT

inferred← citeshttps://doi.org/10.1016/j.jpcs.2020.109857openalex-snapshot

Adsorbed of toxic gas molecules (CO, H2S, and NO) on alkali-metal-doped g-GaN monolayer

inferred← citeshttps://doi.org/10.1016/j.jpcs.2026.113646openalex-snapshot

Tuning electronic, magnetic, and thermoelectric properties of armchair MoSe2 nanoribbons via magnetic doping

inferred← citeshttps://doi.org/10.1016/j.matchemphys.2012.05.055openalex-snapshot

A first principle Comparative study of electronic and optical properties of 1H – MoS2 and 2H – MoS2

inferred← citeshttps://doi.org/10.1016/j.matchemphys.2014.07.026openalex-snapshot

First-principles investigations on vacancy formation and electronic structures of monolayer MoS2

inferred← citeshttps://doi.org/10.1016/j.matchemphys.2018.01.015openalex-snapshot

Influence of Mo-vacancy concentration on the structural, electronic and optical properties of monolayer MoS2: A first-principles study

inferred← citeshttps://doi.org/10.1016/j.micrna.2022.207463openalex-snapshot

Effect of alkali metal adsorption over pristine Ga2STe janus monolayer in enhancing the visible region absorption

inferred← citeshttps://doi.org/10.1016/j.micrna.2023.207742openalex-snapshot

A review on applications of molybdenum disulfide material: Recent developments

inferred← citeshttps://doi.org/10.1016/j.molstruc.2022.132746openalex-snapshot

A computational study of strained MoS2 as catalysts for the electrocatalytic nitrogen reduction reaction

inferred← citeshttps://doi.org/10.1016/j.mseb.2022.115642openalex-snapshot

Can MoS2 membrane be used for removal of mineral pollutants from water? First-principle study

inferred← citeshttps://doi.org/10.1016/j.mtchem.2018.10.006openalex-snapshot

A review on density functional theory–based study on two-dimensional materials used in batteries

inferred← citeshttps://doi.org/10.1016/j.mtcomm.2020.101859openalex-snapshot

Effect of the magnetic field and electron/hole doping on electronic heat capacity and Pauli spin susceptibility of monolayer MoS2 in the presence of electron-phonon coupling

inferred← citeshttps://doi.org/10.1016/j.mtcomm.2021.102722openalex-snapshot

Influence of vacancy defects on the electronic structure and magnetic properties of Cu-doped ZnO monolayers: A first-principles study

inferred← citeshttps://doi.org/10.1016/j.mtcomm.2022.103569openalex-snapshot

Electronic and magnetic properties of the superhalogen Fe(NO3)3 absorbed monolayer MoS2: The regulating performance

inferred← citeshttps://doi.org/10.1016/j.mtcomm.2023.105991openalex-snapshot

1D/2D CdS/WS2 heterojunction photocatalyst: First-principles insights for hydrogen production

inferred← citeshttps://doi.org/10.1016/j.mtcomm.2024.108698openalex-snapshot

Electronic structure, magnetic and adsorption properties of monolayer chromium disulfide adsorbed by (non)-metals: A first-principles study

inferred← citeshttps://doi.org/10.1016/j.mtcomm.2026.115922openalex-snapshot

Momentum-space origins of quantum capacitance in atomically engineered Janus MoSSe

inferred← citeshttps://doi.org/10.1016/j.nanoso.2023.101041openalex-snapshot

Molybdenum disulfide (MoS 2 ) and reduced graphene oxide (rGO) nanocomposite based electrochemical sensor for detecting mercury(II) ions

inferred← citeshttps://doi.org/10.1016/j.nantod.2023.102007openalex-snapshot

Computational insight into the bioapplication of 2D materials: A review

inferred← citeshttps://doi.org/10.1016/j.oregeorev.2025.106473openalex-snapshot

Microstructure and trace element occurrence in molybdenite (MoS2) from the Dexing ore field: Implications for the differential enrichment of rhenium

inferred← citeshttps://doi.org/10.1016/j.physb.2012.08.034openalex-snapshot

Tunable dielectric response of transition metals dichalcogenides MX2 (M=Mo, W; X=S, Se, Te): Effect of quantum confinement

inferred← citeshttps://doi.org/10.1016/j.physb.2013.03.029openalex-snapshot

Mechanical strain dependent electronic and dielectric properties of two-dimensional honeycomb structures of MoX2 (X=S, Se, Te)

inferred← citeshttps://doi.org/10.1016/j.physb.2013.12.002openalex-snapshot

Coherent non-linear optical response in SU(2) symmetry broken single and bilayer graphene

inferred← citeshttps://doi.org/10.1016/j.physb.2018.05.034openalex-snapshot

Influence of strain on specific features of MoX2 (X = S, Se, Te) monolayers

inferred← citeshttps://doi.org/10.1016/j.physb.2026.419265openalex-snapshot

Cr and Mn doping in armchair MoSe2 nanoribbons

inferred← citeshttps://doi.org/10.1016/j.physe.2014.06.017openalex-snapshot

First-principles study of transition-metal atoms adsorption on MoS2 monolayer

inferred← citeshttps://doi.org/10.1016/j.physe.2015.05.010openalex-snapshot

A novel optical property induced by MO, S vacancy and V-doped in monolayer MoS2

inferred← citeshttps://doi.org/10.1016/j.physe.2018.03.016openalex-snapshot

Stability of direct band gap under mechanical strains for monolayer MoS2, MoSe2, WS2 and WSe2

inferred← citeshttps://doi.org/10.1016/j.physe.2019.113609openalex-snapshot

Strain effects on magnetic states of monolayer MoS2 doped with group IIIA to VA atoms

inferred← citeshttps://doi.org/10.1016/j.physe.2020.114347openalex-snapshot

Electronic and structural properties of novel monolayer molybdenum disulfide and boron phosphide heterostructures

inferred← citeshttps://doi.org/10.1016/j.physe.2021.114701openalex-snapshot

Behaviour of induced states of substitutional and adatom impurity doping on electronic transport properties of single-layer black phosphorus

inferred← citeshttps://doi.org/10.1016/j.physe.2023.115813openalex-snapshot

The optical properties of few-layer MoS2 by DFT calculations

inferred← citeshttps://doi.org/10.1016/j.physleta.2012.02.029openalex-snapshot

Mechanical and electronic properties of monolayer MoS2 under elastic strain

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