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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.
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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.
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Citations
Homo- and Heterosolvent Modifications of Hofmann-Type Flexible Two-Dimensional Layers for Colossal Interlayer Thermal Expansions.
TL;DR: Two-dimensional Hofmann-type coordination polymers of type Mn(H 2O)2[Pd(CN)4]·xH2O (1·x H2O; x = 0, 1, and 4), Mn(h2O)(MeOH)[Pd (CN) 4]·2MeOH (2·2 meOH), and Mn(MeOH)2,[Pd)4?]·Me OH (3·MeOH).
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High-temperature ferromagnetism and half-metallicity in hole-doped Janus OM2S(M=Ga,In,andTl) monolayers
TL;DR: In this paper , a class of nonmagnetic 2D materials for investigating the high-temperature ferromagnetism and half-metallicity of group-III monochalcogenides was proposed.
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•Posted Content
Ultralow lattice thermal conductivity and high thermoelectric performance near room temperature of Janus monolayer HfSSe
TL;DR: In this article, a first principles calculations of electronic and thermoelectric performance of two dimensional transition metal di-chalcogenides (TMDCs) have been performed with the help of density functional theory and Boltzmann transport equation.
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First-principles study on electronic and thermoelectric properties of Janus monolayers AsXC3 (X: Sb, Bi)
TL;DR: In this paper , the authors investigated the electronic structure and thermoelectric properties of the As2C3 monolayer and Janus AsBiC3 and AsSbC3 structures.
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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.