Cover Image

Pristine and Doped MoS2 Monolayers as Potential HCN Gas Sensors: A DFT Study

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Thakur, Neeraj, Bhardwaj, Anjna, Kumar, Arun, Singh, Amarjeet
Format:	Preprint
Published:	2026
Subjects:	Materials Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Photoluminescence-Based Gas Sensing with MoS2 Monolayers
by: Ngo, Gia Quyet, et al.
Published: (2024)

Piezoelectric Electrostatic Superlattices in Monolayer MoS$_2$
by: Ramasubramaniam, Ashwin, et al.
Published: (2023)

Interfacial Oxidation Enables Charge-Transfer Contacts and Degenerate n-Doping in Monolayer MoS$_2$
by: Bianchi, Marco, et al.
Published: (2026)

Effect of Strain on the Band Gap of Monolayer MoS$_2$
by: Sah, Raj K., et al.
Published: (2024)

Carrier Dynamics in High-density Photo-doped MoS$_2$: Monolayer vs Multilayer
by: Khatua, Durga Prasad, et al.
Published: (2024)

Doping effect on thermoelectric properties of MoS$_2$
by: Guo, Huaihong, et al.
Published: (2012)

Surface Sensitive Raman Response of Metal-Supported Monolayer MoS$_2$
by: Tumino, Francesco, et al.
Published: (2025)

Uniaxial Strain-Induced Electronic Properties Alteration of MoS$_2$ Monolayer
by: Setiawan, A., et al.
Published: (2022)

Probing the Relationship between Defects and Enhanced Mobility in MoS2 Monolayers Grown by Mo Foil
by: Majumder, Sudipta, et al.
Published: (2024)

Band Renormalization in Monolayer MoS2 Induced by Multipole Screening
by: Lee, Woojoo, et al.
Published: (2026)

Machine Learning Interatomic Potentials Enable Molecular Dynamics Simulations of Doped MoS2
by: Faiyad, Abrar, et al.
Published: (2025)

Benchmarking CHGNet Universal Machine Learning Interatomic Potential Against DFT and EXAFS: Case of Layered WS2 and MoS2
by: Žguns, Pjotrs, et al.
Published: (2025)

Band Structure Engineering, Optical, Transport, and Photocatalytic Properties of Pristine and Doped Nb3O7(OH): A Systematic DFT Study
by: Khan, Wilayat, et al.
Published: (2025)

Investigating Metal Dopants for Lowering the Contact Resistance of Top Gold Contacted Monolayer MoS2
by: Kharwar, Saurabh, et al.
Published: (2024)

Localized Gradual Photomediated Brightness and Lifetime Increase of Superacid Treated Monolayer MoS$_2$
by: Tyson, Kurt H., et al.
Published: (2024)

Influence of Rhenium Concentration on Charge Doping and Defect Formation in MoS2
by: Munson, Kyle T., et al.
Published: (2023)

Imaging the Quantum Capacitance of Strained MoS2 Monolayers by Electrostatic Force Microscopy
by: Di Giorgio, Cinzia, et al.
Published: (2023)

Direct X-Ray Measurements of Strain in Monolayer MoS$_{2}$ from Capping Layers and Geometrical Features
by: Neilson, Kathryn, et al.
Published: (2024)

Effects of CVD Growth Parameters on Global and Local Optical Properties of MoS$_2$ Monolayers
by: Senkić, A., et al.
Published: (2022)

Exclusive Generation of Single-Atom Sulfur for Ultrahigh Quality Monolayer MoS$_2$ Growth
by: Zhang, Yunhao, et al.
Published: (2025)

Seed Layer Engineering for Effective Charge Transfer Doping of MoS$_2$ Transistors
by: Sharma, Sahej, et al.
Published: (2026)

Reproducible Monolayer MoS2 Devices Free of Resist Contamination by Gold Mask Lithography
by: Liu, Yumeng, et al.
Published: (2024)

Large-Scale Integrated Vector-Matrix Multiplication Processor Based on Monolayer MoS2
by: Marega, Guilherme Migliato, et al.
Published: (2023)

Nature of point defects in monolayer MoS2 and the MoS2/(111)Au heterojunction
by: Anvari, Roozbeh, et al.
Published: (2024)

Edge Magnetism in Colloidal MoS2 Triangular Nanoflakes
by: Kumar, Surender, et al.
Published: (2025)

Strain-Induced Activation of Symmetry-Forbidden Exciton-Phonon Couplings for Enhanced Phonon-Assisted Photoluminescence in MoS$_2$ Monolayers
by: Saraswat, Rishabh, et al.
Published: (2025)

Reduction in Thermal Conductivity of Monolayer MoS2 by Large Mechanical Strains for Efficient Thermal Management
by: Liu, Jun, et al.
Published: (2024)

Development and Application of a ReaxFF Reactive Force Field for Ni-Doped MoS$_2$
by: Mohammadtabar, Karen, et al.
Published: (2023)

Glucose Sensing Using Pristine and Co-doped Hematite Fiber-Optic sensors: Experimental and DFT Analysis
by: Pattanayak, Namrata, et al.
Published: (2024)

Electronic and Structural Properties of Lanthanide-Doped MoS$_2$: Impact of Ionic Size and Orbital Configuration Mismatch
by: Kang, Hyosik, et al.
Published: (2025)

Electronic Phase Transformations and Energy Gap Variations in Uniaxial and Biaxial Strained Monolayer VS$_2$ TMDs: A Comprehensive DFT and Beyond-DFT Study
by: Orhan, Oguzhan, et al.
Published: (2023)

Doping-Induced Enhancement of Hydrogen Evolution at MoS2 Electrodes
by: Hanslin, Sander Ø., et al.
Published: (2024)

Panoply of Ni-Doping-Induced Reconstructions, Electronic Phases, and Ferroelectricity in 1T-MoS$_2$
by: Karkee, Rijan, et al.
Published: (2021)

Isolating the Nonlinear Optical Response of a MoS$_2$ Monolayer under Extreme Screening of a Metal Substrate
by: Yang, Tao, et al.
Published: (2023)

Simulation on the Miniaturization and Performance Improvement Study of Gr/MoS2 Based Vertical Field Effect Transistor
by: Ghosh, Sirsendu, et al.
Published: (2025)

DFT-Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe$_2$ by Differential Phase Contrast Imaging
by: Groll, Maja, et al.
Published: (2023)

Enhanced THz emission and exciton transfer in monolayer MoS2/GaAs heterostructures
by: Bhuyan, C. Abinash, et al.
Published: (2025)

Atomistic Origin of Photoluminescence Quenching in Colloidal MoS2 and WS2 Nanoplatelets
by: Kumar, Surender, et al.
Published: (2025)

Interfacial properties of MoS2 thin films grown on functional substrates
by: Rehman, Hafiz Sami Ur, et al.
Published: (2026)

Eight In. Wafer‐Scale Epitaxial Monolayer MoS2
by: Hua Yu, et al.
Published: (2024)