Open AccessPosted Content
Janus Monolayer Transition Metal Dichalcogenides
Jing Zhang,Shuai Jia,Kholmanov Iskandar,Liang Dong,Dequan Er,Weibing Chen,Hua Guo,Zehua Jin,Vivek B. Shenoy,Li Shi,Jun Lou +10 more
TL;DR: In this article, a novel crystal configuration of sandwiched S-Mo-Se structure (Janus SMoSe) at the monolayer limit has been synthesized and carefully characterized.
read more
Abstract: A novel crystal configuration of sandwiched S-Mo-Se structure (Janus SMoSe) at the monolayer limit has been synthesized and carefully characterized in this work. By controlled sulfurization of monolayer MoSe2 the top layer of selenium atoms are substituted by sulfur atoms while the bottom selenium layer remains intact. The peculiar structure of this new material is systematically investigated by Raman, photoluminescence and X-ray photoelectron spectroscopy and confirmed by transmission-electron microscopy and time-of-flight secondary ion mass spectrometry. Density-functional theory calculations are performed to better understand the Raman vibration modes and electronic structures of the Janus SMoSe monolayer, which are found to correlate well with corresponding experimental results. Finally, high basal plane hydrogen evolution reaction (HER) activity is discovered for the Janus monolayer and DFT calculation implies that the activity originates from the synergistic effect of the intrinsic defects and structural strain inherent in the Janus structure.
read more
Chat with Paper
AI Agents for this Paper
Find similar papers on Google Scholar, PubMed and Arxiv
Write a critical review of this paper
Analyze citations of this paper to find unaddressed research gaps
Citations
Antiferromagnetic topological magnetism in synthetic van der Waals antiferromagnets
TL;DR: In this article , a variety of AFM topological spin textures, including skyrmion, chiral domain wall, and meron, can be induced in van der Waals (vdW) synthetic antiferromagnets.
6
Tuning the band alignment and electronic properties of XSe2/WSi2N4 (X=Mo,W) van der waals heterostructures with high carrier mobility
TL;DR: In this article , the authors investigated the electronic structure and optoelectronic properties of XSe2/WSi2N4 (X = Mo, W) van der Waals heterostructures (vdWHs) based on the first-principles calculations.
6
Synthesis of epitaxial monolayer Janus SPtSe
Roberto Sant,Alain Marty,Simone Lisi,Rania Harrabi,Céline Vergnaud,Minh Tuan Dau,Xiaorong Weng,Johann Coraux,Nicolas Gauthier,Olivier Renault,Gilles Renaud,Matthieu Jamet +11 more
TL;DR: In this article, a single-layer transition metal dichalcogenides (SPtSe) is reported, which is predicted to exhibit strong Rashba spin-orbit coupling.
Electronic Properties of Defective Janus MoSSe Monolayer.
TL;DR: In this article , point defects, line vacancies, and 60° grain boundaries are explored in 2D Janus MoSSe, a new member to the family of TMDCs, by means of the first-principles calculations.
6
Understanding Solvent‐Induced Delamination and Intense Water Adsorption in Janus Transition Metal Dichalcogenides for Enhanced Device Performance
Sun Woo Kim,Seon Yeon Choi,Si Heon Lim,Eun Bee Ko,Seunghyun Kim,Yun Chang Park,Sunghun Lee,Hyun Ho Kim +7 more
TL;DR: Janus MoSSe exhibits solvent-induced delamination and intense water adsorption, which adversely affects its semiconducting properties. The built-in dipole moments make the material susceptible to both phenomena. Field-effect transistors based on a van der Waals heterostructure are fabricated to demonstrate the improved device performance and stability.
6
References
Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
107K
Projector augmented-wave method
TL;DR: An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural way and can be used to treat first-row and transition-metal elements with affordable effort and provides access to the full wave function.
80.3K
Electric Field Effect in Atomically Thin Carbon Films
Kostya S. Novoselov,Andre K. Geim,Sergey V. Morozov,Da Jiang,Y. Zhang,S. V. Dubonos,Irina V. Grigorieva,A. A. Firsov +7 more
TL;DR: Monocrystalline graphitic films are found to be a two-dimensional semimetal with a tiny overlap between valence and conductance bands and they exhibit a strong ambipolar electric field effect.
66.3K
Single-layer MoS2 transistors
TL;DR: Because monolayer MoS(2) has a direct bandgap, it can be used to construct interband tunnel FETs, which offer lower power consumption than classical transistors, and could also complement graphene in applications that require thin transparent semiconductors, such as optoelectronics and energy harvesting.