Thermal Conductivity Limits of MoS$_2$ and MoSe$_2$: Revisiting High-Order Anharmonic Lattice Dynamics with Machine Learning Potentials
Fuente:
arXiv
Saved in:
| Main Authors: | Kocabas, Tugbey, Keceli, Murat, Gurel, Tanju, Milosevic, Milorad, Sevik, Cem |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Scattering of CO from Vacant-MoSe$_2$ with O Adsorbates: Is CO$_2$ Formed?
by: Bombín, Raúl, et al.
Published: (2024)
by: Bombín, Raúl, et al.
Published: (2024)
Strain-tuned magnetoelectric properties of monolayer NiX$_2$ (X = I, Br): a first-principles analysis
by: Ghojavand, Ali, et al.
Published: (2025)
by: Ghojavand, Ali, et al.
Published: (2025)
Photoluminescence-Based Gas Sensing with MoS2 Monolayers
by: Ngo, Gia Quyet, et al.
Published: (2024)
by: Ngo, Gia Quyet, et al.
Published: (2024)
Theory of a two-dimensional anharmonic piezoelectric crystal resonator
by: Michel, Karl H., et al.
Published: (2024)
by: Michel, Karl H., et al.
Published: (2024)
Mo Atom Rearrangement Drives Layer-Dependent Reactivity in Two-Dimensional MoS2
by: Wang, Zifan, et al.
Published: (2025)
by: Wang, Zifan, et al.
Published: (2025)
State- and momentum-dependent nonlinear Stark effect of interlayer excitons in bilayer WSe$_2$
by: Sevik, Cem, et al.
Published: (2025)
by: Sevik, Cem, et al.
Published: (2025)
Doping-Induced Enhancement of Hydrogen Evolution at MoS2 Electrodes
by: Hanslin, Sander Ø., et al.
Published: (2024)
by: Hanslin, Sander Ø., et al.
Published: (2024)
Fe-MoS$_2$ nanoenzyme with photothermal enhanced enzyme activity for glucose colorimetric detection
by: Wang, Xiaolu, et al.
Published: (2024)
by: Wang, Xiaolu, et al.
Published: (2024)
Constant-Potential Machine Learning Molecular Dynamics Simulations Reveal Potential-Regulated Cu Cluster Formation on MoS$_{2}$
by: Zhou, Jingwen, et al.
Published: (2024)
by: Zhou, Jingwen, et al.
Published: (2024)
Elucidating the role of electron transfer in the photoluminescence of $\mathrm{MoS_{2}}$ quantum dots synthesized by fs-pulse ablation
by: Sahoo, Anubhab, et al.
Published: (2024)
by: Sahoo, Anubhab, et al.
Published: (2024)
Investigating ferromagnetic response in monolayer CVD grown MoS$_{2}$ flakes using quantum weak measurement
by: Mahmood, Wardah, et al.
Published: (2025)
by: Mahmood, Wardah, et al.
Published: (2025)
Unoccupied bands in the molybdenum dichalcogenides MoS$_2$, MoSe$_2$, and MoTe$_2$
by: Jobst, J., et al.
Published: (2025)
by: Jobst, J., et al.
Published: (2025)
An atomic-scale perspective on individual thiol-terminated molecules anchored to single S vacancies in MoS$_2$
by: Simon, J. Rika, et al.
Published: (2024)
by: Simon, J. Rika, et al.
Published: (2024)
Transition Metal Dichalcogenide MoS${}_2$: oxygen and fluorine functionalization for selective plasma processing
by: Polyachenko, Yury, et al.
Published: (2026)
by: Polyachenko, Yury, et al.
Published: (2026)
Acceleration of Fe$^{3+}$/Fe$^{2+}$ cycle in garland-like MIL-101(Fe)/MoS$_2$ nanosheets to promote peroxymonosulfate activation for sulfamethoxazole degradation
by: Zhu, Ke, et al.
Published: (2024)
by: Zhu, Ke, et al.
Published: (2024)
Excitonic Landscape of Monolayer Transition-Metal Dichalcogenides: Experimental Discrepancies, Theoretical Advances, and Strain Dependence
by: Sevik, Cem, et al.
Published: (2026)
by: Sevik, Cem, et al.
Published: (2026)
Electrical Control of Excitons in Bare-MoSe2 and MoSe2/NbSe2 Heterostructure
by: Patra, Atanu, et al.
Published: (2025)
by: Patra, Atanu, et al.
Published: (2025)
ChemGraph: An Agentic Framework for Computational Chemistry Workflows
by: Pham, Thang D., et al.
Published: (2025)
by: Pham, Thang D., et al.
Published: (2025)
Mixed quantum-classical modeling of exciton-phonon scattering in solids: Application to optical linewidths of monolayer MoS2
by: Krotz, Alex, et al.
Published: (2024)
by: Krotz, Alex, et al.
Published: (2024)
Ferroelectric Control of Interlayer Excitons in 3R-MoS$_{2}$ / MoSe$_{2}$ Heterostructures
by: Schwandt-Krause, Johannes, et al.
Published: (2025)
by: Schwandt-Krause, Johannes, et al.
Published: (2025)
Machine-Learning Interatomic Potential for Twisted Hexagonal Boron Nitride: Accurate Structural Relaxation and Emergent Polarization
by: Luna, Wilson Nieto, et al.
Published: (2025)
by: Luna, Wilson Nieto, et al.
Published: (2025)
Nature of long-lived moiré interlayer excitons in electrically tunable MoS$_{2}$/MoSe$_{2}$ heterobilayers
by: Alexeev, Evgeny M., et al.
Published: (2024)
by: Alexeev, Evgeny M., et al.
Published: (2024)
Quadrupolar Excitons in MoSe$_2$ Bilayers
by: Jasiński, Jakub, et al.
Published: (2024)
by: Jasiński, Jakub, et al.
Published: (2024)
Modal Backflow Neural Quantum States for Anharmonic Vibrational Calculations
by: Ding, Lexin, et al.
Published: (2025)
by: Ding, Lexin, et al.
Published: (2025)
Mixed Quantum-Classical Dynamics Yields Anharmonic Rabi Oscillations
by: Hsieh, Ming-Hsiu, et al.
Published: (2025)
by: Hsieh, Ming-Hsiu, et al.
Published: (2025)
Quadruply Bonded Mo$_2$ Molecules Acting as an Inborn Emitter-Resonator Quantum System in Free Space
by: Meng, Miao, et al.
Published: (2024)
by: Meng, Miao, et al.
Published: (2024)
N-Mode Quantized Anharmonic Vibronic Hamiltonians for Matrix Product State Dynamics
by: Barandun, Valentin, et al.
Published: (2025)
by: Barandun, Valentin, et al.
Published: (2025)
Critical assessment of $G_0W_0$ calculations for 2D materials: the example of monolayer MoS$_2$
by: Pela, Ronaldo Rodrigues, et al.
Published: (2023)
by: Pela, Ronaldo Rodrigues, et al.
Published: (2023)
Thermal Conductivity of Metastable Ionic Liquid [$C_{2}mim$][$CH_{3}SO_{3}$]
by: Lozano-Martín, Daniel, et al.
Published: (2024)
by: Lozano-Martín, Daniel, et al.
Published: (2024)
Analytic Model for the Energy Spectrum of the Anharmonic Oscillator
by: Caffarel, Michel
Published: (2024)
by: Caffarel, Michel
Published: (2024)
The V30 Benchmark Set for Anharmonic Vibrational Frequencies of Molecular Dimers
by: Hoja, Johannes, et al.
Published: (2022)
by: Hoja, Johannes, et al.
Published: (2022)
Electrical control and transport of tightly bound interlayer excitons in a MoSe2/hBN/MoSe2 heterostructure
by: Zhang, Lifu, et al.
Published: (2023)
by: Zhang, Lifu, et al.
Published: (2023)
Accelerated Machine Learning Force Field for Predicting Thermal Conductivity of Organic Liquids
by: Feng, Wei, et al.
Published: (2025)
by: Feng, Wei, et al.
Published: (2025)
Universal Approach for Determining Multi-Dimensional Anharmonic Vibrations from Electronic Quantum Methods
by: Withanage, Kushantha P. K., et al.
Published: (2025)
by: Withanage, Kushantha P. K., et al.
Published: (2025)
Hybrid moiré excitons and trions in twisted MoTe$_2$-MoSe$_2$ heterobilayers
by: Zhao, Shen, et al.
Published: (2024)
by: Zhao, Shen, et al.
Published: (2024)
Strain-tunable magnetic and magnonic states in Ni-dihalide monolayers
by: Ghojavand, Ali, et al.
Published: (2024)
by: Ghojavand, Ali, et al.
Published: (2024)
MoSi$_2$N$_4$-like crystals -- the new family of two-dimensional materials
by: Latychevskaia, Tatiana, et al.
Published: (2025)
by: Latychevskaia, Tatiana, et al.
Published: (2025)
Quadrupolar and Dipolar Excitons in Bilayer 2$H$-MoSe$_2$
by: Feng, Shun, et al.
Published: (2025)
by: Feng, Shun, et al.
Published: (2025)
Highly Efficient Exciton Modulation in MoSe$_2$/PdSe$_2$ Heterostructures
by: Rozhin, Petr, et al.
Published: (2026)
by: Rozhin, Petr, et al.
Published: (2026)
Resolving the Body-Order Paradox of Machine Learning Interatomic Potentials
by: Chong, Sanggyu, et al.
Published: (2025)
by: Chong, Sanggyu, et al.
Published: (2025)
Similar Items
-
Scattering of CO from Vacant-MoSe$_2$ with O Adsorbates: Is CO$_2$ Formed?
by: Bombín, Raúl, et al.
Published: (2024) -
Strain-tuned magnetoelectric properties of monolayer NiX$_2$ (X = I, Br): a first-principles analysis
by: Ghojavand, Ali, et al.
Published: (2025) -
Photoluminescence-Based Gas Sensing with MoS2 Monolayers
by: Ngo, Gia Quyet, et al.
Published: (2024) -
Theory of a two-dimensional anharmonic piezoelectric crystal resonator
by: Michel, Karl H., et al.
Published: (2024) -
Mo Atom Rearrangement Drives Layer-Dependent Reactivity in Two-Dimensional MoS2
by: Wang, Zifan, et al.
Published: (2025)