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Related papers: Phase engineering of MoS$_2$ monolayers: A pathway…

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In this study, we compare the performance of two phases of MoS$_2$ monolayers: 1T' and 2H, about their ability to adsorb lithium and sodium ions. Employing the density functional theory and molecular dynamics, we include the ion…

Materials Science · Physics 2024-02-02 J. W. González , E. Flórez , J. D. Correa

Semiconducting monolayer of 2D material are able to concatenate multiple interesting properties into a single component. Here, by combining opto-mechanical and electronic measurements, we demonstrate the presence of a partial 2H-1T phase…

Molybdenum disulfide (MoS2) is a highly attractive 2D material due to its interesting electronic properties. Recent experimental advances confirm the possibility of further tuning the electronic properties of MoS2 through the fabrication of…

Materials Science · Physics 2017-04-17 B Mortazavi , A Ostadhossein , T Rabczuk , ACT van Duin

Molybdenum disulfide (MoS2) is a widely studied layered material for electronic, optical, and catalytic applications. It can host lithium ions between the van der Waals layers, which triggers a phase transition between the semiconducting 2H…

Materials Science · Physics 2026-01-21 Yerin Hong , Juhwan Lim , Jinhong Min , Nishkarsh Agarwal , Robert Hovden , Ageeth A. Bol , Yiyang Li

We investigate electromechanical properties of two-dimensional MoS$_2$ monolayers in the 1H, 1T, and 1T$^\prime$ structures as a function of charge doping by using density functional theory. We find isotropic elastic moduli in the 1H and 1T…

Materials Science · Physics 2018-02-14 Nguyen T. Hung , Ahmad R. T. Nugraha , Riichiro Saito

Structural transformation between metallic (1T) and semiconducting (2H) phases of single-layered MoS2 was systematically investigated by an in situ STEM with atomic precision. The 1T/2H phase transition is comprised of S and/or Mo…

Materials Science · Physics 2013-10-10 Yung-Chang Lin , Dumitru O. Dumcenco , Ying-Sheng Huang , Kazu Suenaga

In this paper we propose two transistor concepts based on lateral heterostructures of monolayer MoS$_2$, composed of adjacent regions of 1T (metallic) and 2H (semiconducting) phases, inspired by recent research showing the possibility to…

Mesoscale and Nanoscale Physics · Physics 2018-04-03 Damiano Marian , Elias Dib , Teresa Cusati , Enrique G. Marin , Alessandro Fortunelli , Giuseppe Iannaccone , Gianluca Fiori

The metastable 1$T'$ phase of layered transition metal dichalcogenides has recently attracted considerable interest due to electronic properties, possible topological electronic phases and catalytic activity. We report a comprehensive…

Materials Science · Physics 2018-04-13 Michele Pizzochero , Oleg V. Yazyev

Phase engineering of MoS2 transistors has recently been demonstrated and has led to record low contact resistances. The phase patterning of MoS2 flakes with laser radiation has also been realized via spectroscopic methods, which invites the…

Applied Physics · Physics 2018-09-30 Nikos Papadopoulos , Joshua O. Island , Herre S. J. van der Zant , Gary A. Steele

Transition metal dichalcogenides like MoS2 can exist many phases like the semiconducting 2H and the metallic 1T phases which have shown intriguing properties for energy and electrocatalytic applications. However, the 2H and 1T phases…

Applied Physics · Physics 2019-10-10 Qingqing Ke , Xiao Zhang , Abdelnaby M. Elshahawy , Yating Hu , Qiyuan He , Yongqing Cai , John Wang

Monolithic realization of metallic 1T and semiconducting 2H polymorphic phases makes MoS2 a potential candidate for future microelectronic circuits. Though co-existence of these phases has been reported, a method for engineering a stable 1T…

Mesoscale and Nanoscale Physics · Physics 2018-08-22 Chithra H. Sharma , Ananthu P. Surendran , Abin Varghese , Madhu Thalakulam*

Light chargeable metal-ion batteries using semiconductor heterostructures are gaining enormous interest. A few such heterostructures such as MoS2/MoOy and TiS2/TiO2 have been shown to function as photocathodes in photochargeable Li-ion…

Materials Science · Physics 2023-07-07 Raheel Hammad , Amar Kumar , Tharangattu N. Narayanan , Soumya Ghosh

The coexistence of semiconducting (2H) and metallic (1T) phases of MoS$_{2}$ monolayers have further pushed their strong potential for applications in the next generation of electronic devices based on the two-dimensional lateral…

Computational Physics · Physics 2021-12-01 Mohammad Bahmani , Mahdi Ghorbani-Asl , Thomas Frauenheim

The intercalation-induced phase transition of MoS2 from the semiconducting 2H to the semimetallic 1T' phase has been studied in detail for nearly a decade; however, the effects of a heterointerface between MoS2 and other two-dimensional…

Transition-metal dichalcogenides open novel opportunities for the exploration of exciting new physics and devices. As a representative system, 2H-MoS$_2$ has been extensively investigated owing to its unique band structure with a large band…

Transition metal dichalcogenides (TMDs) exist in various crystal structures with semiconducting, semi-metallic, and metallic properties. The dynamic control of these phases is of immediate interest for next generation electronics such as…

Materials Science · Physics 2026-01-21 Dante Zakhidov , Daniel A. Rehn , Evan J. Reed , Alberto Salleo

Lithium-sulfur (Li-S) batteries offer substantial theoretical energy density gains over Li-ion bat-teries, a crucial factor for transportation electrification. In addition, sulfur is an earth-abundant, inexpensive material obtainable from…

Materials Science · Physics 2025-01-22 Praveen Balaji T , Soumyadip Choudhury , Ernesto E. Marinero

Molybdenum Disulfide (MoS$_2$) has been recognized as a potential substitution of Platinum (Pt) for electrochemical hydrogen evolution reaction (HER). However, the broad adoption of MoS$_2$ is hindered by its limited number of active sites…

Chemical Physics · Physics 2021-09-27 Sichen Wei , Yu Fu , Huamin Li , Fei Yao

Superconducting layered transition metal dichalcogenides (TMDs) stand out among other superconductors due to the tunable nature of the superconducting transition, coexistence with other collective electronic excitations (charge density…

The metastable T' phase in monolayer MoS2 exhibits remarkable persistence despite a strong thermodynamic driving force toward the stable H phase. Using machine learning-accelerated molecular dynamics and first-principles calculations, we…

Materials Science · Physics 2026-04-28 Pai Li , Ziao Tian , ZengFeng Di , Feng Ding
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