Reconfiguring crystal and electronic structures of MoS2 by substitutional doping.
Joonki Suh,Teck Leong Tan,Weijie Zhao,Joonsuk Park,Der-Yuh Lin,Tae Eon Park,Jonghwan Kim,Chenhao Jin,Nihit Saigal,Sandip Ghosh,Zicong Marvin Wong,Zicong Marvin Wong,Yabin Chen,Feng Wang,Feng Wang,Wladek Walukiewicz,Wladek Walukiewicz,Goki Eda,Junqiao Wu,Junqiao Wu +19 more
Reads0
Chats0
TLDR
The authors investigate the structural and electronic effects of Nb doping in MoS2 crystals, which induces a structural transformation from naturally occurring 2H stacking to 3R stacking and produces strong and broadband photoluminescence via the formation of exciton complexes tightly bound to neutral acceptors.Abstract:
Doping of traditional semiconductors has enabled technological applications in modern electronics by tailoring their chemical, optical and electronic properties. However, substitutional doping in two-dimensional semiconductors is at a comparatively early stage, and the resultant effects are less explored. In this work, we report unusual effects of degenerate doping with Nb on structural, electronic and optical characteristics of MoS2 crystals. The doping readily induces a structural transformation from naturally occurring 2H stacking to 3R stacking. Electronically, a strong interaction of the Nb impurity states with the host valence bands drastically and nonlinearly modifies the electronic band structure with the valence band maximum of multilayer MoS2 at the Γ point pushed upward by hybridization with the Nb states. When thinned down to monolayers, in stark contrast, such significant nonlinear effect vanishes, instead resulting in strong and broadband photoluminescence via the formation of exciton complexes tightly bound to neutral acceptors.read more
Citations
More filters
Journal ArticleDOI
Solid Lubrication with MoS2: A Review
TL;DR: In this article, the authors present a focused review of solid lubrication with molybdenum disulfide by highlighting its structure, synthesis, applications and the fundamental mechanisms underlying its lubricative properties, together with a discussion of their environmental and temperature dependence.
Journal ArticleDOI
Doping engineering and functionalization of two-dimensional metal chalcogenides
TL;DR: This review highlights the recent progress in the doping engineering of 2D MXs, covering that enabled by substitution, exterior charge transfer, intercalation and the electrostatic doping mechanism.
Journal ArticleDOI
Unipolar barrier photodetectors based on van der Waals heterostructures
Yunfeng Chen,Yang Wang,Yang Wang,Zhen Wang,Yue Gu,Yan Ye,Xuliang Chai,Jiafu Ye,Yan Chen,Runzhang Xie,Yi Zhou,Zhigao Hu,Qing Li,Lili Zhang,Fang Wang,Peng Wang,Jinshui Miao,Jianlu Wang,Xiaoshuang Chen,Wei Lu,Peng Zhou,Weida Hu +21 more
TL;DR: In this article, a band-engineered van der Waals heterostructures were used to construct visible and mid-wavelength infrared unipolar barrier photodetectors.
Journal Article
Quantum Spin Hall Effect in Two-Dimensional Transition Metal Dichalcogenides
TL;DR: In this paper, a topological field effect transistor made of van der Waals heterostructures of 1T′-MX 2 and two-dimensional dielectric layers was proposed.
Journal ArticleDOI
Doping regulation in transition metal compounds for electrocatalysis
TL;DR: In this article, the authors provide a systematic overview of doping regulation in two-dimensional transition-metal compounds (TMCs) in terms of background, preparation, impacts on physicochemical properties, and typical applications.
References
More filters
Journal ArticleDOI
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.
Journal ArticleDOI
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.
Journal ArticleDOI
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.
Journal ArticleDOI
Special points for brillouin-zone integrations
Hendrik J. Monkhorst,J.D. Pack +1 more
TL;DR: In this article, a method for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector is given, where the integration can be over the entire zone or over specified portions thereof.
Journal ArticleDOI
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: A detailed description and comparison of algorithms for performing ab-initio quantum-mechanical calculations using pseudopotentials and a plane-wave basis set is presented in this article. But this is not a comparison of our algorithm with the one presented in this paper.