Janus Monolayer Transition-Metal Dichalcogenides

Zhang, Jing; Jia, Shuai; Kholmanov, Iskandar; Dong, Liang; Er, Dequan; Chen, Weibing; Guo, Hua; Jin, Zehua; Shenoy, Vivek B.; Shi, Li; Lou, Jun

doi:10.1021/acsnano.7b03186

Janus Monolayer Transition-Metal Dichalcogenides

Journal Article · Thu Aug 03 04:00:00 EDT 2017 · ACS Nano

DOI:https://doi.org/10.1021/acsnano.7b03186· OSTI ID:1390290

^[1]; Jia, Shuai ^[1]; Kholmanov, Iskandar ^[2]; Dong, Liang ^[3]; Er, Dequan ^[3]; Chen, Weibing ^[1]; Guo, Hua ^[1]; Jin, Zehua ^[1]; Shenoy, Vivek B. ^[3]; ^[2]; Lou, Jun ^[1]

Rice Univ., Houston, TX (United States). Dept. of Materials Science and Engineering
Univ. of Texas, Austin, TX (United States). Dept. of Mechanical Engineering
Univ. of Pennsylvania, Philadelphia, PA (United States). Dept. of Materials Science and Engineering

In this work, the crystal configuration of sandwiched S–Mo–Se structure (Janus SMoSe) at the monolayer limit has been synthesized and carefully characterized. By controlled sulfurization of monolayer MoSe₂, the top layer of selenium atoms is substituted by sulfur atoms, while the bottom selenium layer remains intact. Furthermore, the structure of this material is systematically investigated by Raman, photoluminescence, transmission electron microscopy, and X-ray photoelectron spectroscopy and confirmed by time-of-flight secondary ion mass spectrometry. Density functional theory (DFT) 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 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.

View Accepted Manuscript (DOE)

Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE; National Science Foundation (NSF)

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1390290

Journal Information:: ACS Nano, Journal Name: ACS Nano Journal Issue: 8 Vol. 11; ISSN 1936-0851

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Spontaneous full photocatalytic water splitting on 2D MoSe ₂ /SnSe ₂ and WSe ₂ /SnSe ₂ vdW heterostructures Fan, Yingcai; Wang, Junru; Zhao, Mingwen Nanoscale, Vol. 11, Issue 31 https://doi.org/10.1039/c9nr03469b	journal	January 2019
Emergence of a spin-valley Dirac semimetal in a strained group-VA monolayer Zhang, Meng-Han; Zhang, Shu-Feng; Wang, Pei-Ji Nanoscale, Vol. 12, Issue 6 https://doi.org/10.1039/c9nr09545d	journal	January 2020
Electronic and optical properties of Janus ZrSSe by density functional theory Vu, Tuan V.; Tong, Hien D.; Tran, Duy Phu RSC Advances, Vol. 9, Issue 70 https://doi.org/10.1039/c9ra08605f	journal	January 2019
Janus MoSSe/WSeTe heterostructures: a direct Z-scheme photocatalyst for hydrogen evolution Zhou, Zhaobo; Niu, Xianghong; Zhang, Yehui Journal of Materials Chemistry A, Vol. 7, Issue 38 https://doi.org/10.1039/c9ta06407a	journal	January 2019
Environmental stability of bismuthene: oxidation mechanism and structural stability of 2D pnictogens Kistanov, Andrey A.; Khadiullin, Salavat Kh.; Zhou, Kun Journal of Materials Chemistry C, Vol. 7, Issue 30 https://doi.org/10.1039/c9tc03219c	journal	January 2019
An emerging Janus MoSeTe material for potential applications in optoelectronic devices Yang, Xiaoyong; Singh, Deobrat; Xu, Zhitong Journal of Materials Chemistry C, Vol. 7, Issue 39 https://doi.org/10.1039/c9tc03936h	journal	January 2019
Stabilities, and electronic and piezoelectric properties of two-dimensional tin dichalcogenide derived Janus monolayers Zhang, Xiaoli; Cui, Yu; Sun, Liping Journal of Materials Chemistry C, Vol. 7, Issue 42 https://doi.org/10.1039/c9tc04461b	journal	January 2019
Monitoring the effect of asymmetrical vertical strain on Janus single layers of MoSSe via vibrational spectrum Kandemir, A.; Peeters, F. M.; Sahin, H. The Journal of Chemical Physics, Vol. 149, Issue 8 https://doi.org/10.1063/1.5043207	journal	August 2018
Hydrogen interaction with selectively desulfurized MoS ₂ surface using Ne ⁺ sputtering Han, Sang Wook; Cha, Gi-Beom; Kang, Manil Journal of Applied Physics, Vol. 125, Issue 8 https://doi.org/10.1063/1.5079281	journal	February 2019
Structural, electronic, and electromechanical properties of MoSSe/blue phosphorene heterobilayer Li, Xiaobao; Wang, Xiaotian; Hao, Weijie AIP Advances, Vol. 9, Issue 11 https://doi.org/10.1063/1.5122755	journal	November 2019
Thermoelectric measurements of high-resistance Janus monolayer transition-metal dichalcogenide Mehta, Devika; Zhang, Jing; Smith, Brandon Review of Scientific Instruments, Vol. 90, Issue 10 https://doi.org/10.1063/1.5125156	journal	October 2019
Mechanical properties of two-dimensional materials and their applications Kim, Jong Hun; Jeong, Jae Hwan; Kim, Namwon Journal of Physics D: Applied Physics, Vol. 52, Issue 8 https://doi.org/10.1088/1361-6463/aaf465	journal	December 2018
Janus single-layer group-III monochalcogenides: a promising visible-light photocatalyst Yang, Hongchao; Zhao, Pei; Ma, Yandong Journal of Physics D: Applied Physics, Vol. 52, Issue 45 https://doi.org/10.1088/1361-6463/ab37d1	journal	August 2019
Interface-controlled band alignment transition and optical properties of Janus MoSSe/GaN vdW heterobilayers Xu, Dong; Zhai, Baoxing; Gao, Qiang Journal of Physics D: Applied Physics, Vol. 53, Issue 5 https://doi.org/10.1088/1361-6463/ab50f9	journal	November 2019
Mechanical and electronic properties of Janus monolayer transition metal dichalcogenides Shi, Wenwu; Wang, Zhiguo Journal of Physics: Condensed Matter, Vol. 30, Issue 21 https://doi.org/10.1088/1361-648x/aabd59	journal	May 2018
Observation of intrinsic dark exciton in Janus-MoSSe heterosturcture induced by intrinsic electric field Long, Chen; Gong, Zhi-Rui; Jin, Hao Journal of Physics: Condensed Matter, Vol. 30, Issue 39 https://doi.org/10.1088/1361-648x/aadc32	journal	September 2018
The mirror asymmetry induced nontrivial properties of polar WSSe/MoSSe heterostructures Wang, Yuanyuan; Wei, Wei; Huang, Baibiao Journal of Physics: Condensed Matter, Vol. 31, Issue 12 https://doi.org/10.1088/1361-648x/aaffb7	journal	February 2019
Thermoelectric properties of 1 T monolayer pristine and Janus Pd dichalcogenides Moujaes, Elie A.; Diery, W. A. Journal of Physics: Condensed Matter, Vol. 31, Issue 45 https://doi.org/10.1088/1361-648x/ab347a	journal	August 2019
Structures, stabilities and piezoelectric properties of Janus gallium oxides and chalcogenides monolayers Cui, Yu; Peng, Lei; Sun, Liping Journal of Physics: Condensed Matter, Vol. 32, Issue 8 https://doi.org/10.1088/1361-648x/ab538f	journal	November 2019
Potential 2D thermoelectric material A TeI ( A = Sb and Bi) monolayers from a first-principles study Guo, San-Dong; Zhang, Ai-Xia; Li, Hui-Chao Nanotechnology, Vol. 28, Issue 44 https://doi.org/10.1088/1361-6528/aa8741	journal	October 2017
Band gap engineering of a MoS ₂ monolayer through oxygen alloying: an ab initio study Andriambelaza, N. F.; Mapasha, R. E.; Chetty, N. Nanotechnology, Vol. 29, Issue 50 https://doi.org/10.1088/1361-6528/aae1e4	journal	October 2018
Enhanced electron–phonon scattering in Janus MoSSe Guo, Rong; Bu, Xiangtian; Wang, Shudong New Journal of Physics, Vol. 21, Issue 11 https://doi.org/10.1088/1367-2630/ab54a6	journal	November 2019
Pyroelectric response and temperature-induced α - β phase transitions in α -In ₂ Se ₃ and other α -III ₂ VI ₃ (III = Al, Ga, In; VI = S, Se) monolayers Liu, J.; Pantelides, S. T. 2D Materials, Vol. 6, Issue 2 https://doi.org/10.1088/2053-1583/aaf946	journal	January 2019
The electronic properties of hydrogenated Janus MoSSe monolayer: a first principles investigation Zhang, Xinxin; Song, Yi; Zhang, Fuchun Materials Research Express, Vol. 6, Issue 10 https://doi.org/10.1088/2053-1591/ab3ac8	journal	August 2019
Electronic, vibrational, elastic, and piezoelectric properties of monolayer Janus MoSTe phases: A first-principles study Yagmurcukardes, M.; Sevik, C.; Peeters, F. M. Physical Review B, Vol. 100, Issue 4 https://doi.org/10.1103/physrevb.100.045415	journal	July 2019
Rashba spin splitting and photocatalytic properties of GeC − M SSe ( M = Mo , W) van der Waals heterostructures Din, H. U.; Idrees, M.; Albar, Arwa Physical Review B, Vol. 100, Issue 16 https://doi.org/10.1103/physrevb.100.165425	journal	October 2019
Modulating superexchange strength to achieve robust ferromagnetic couplings in two-dimensional semiconductors Xiao, Jiewen; Legut, Dominik; Luo, Weidong Physical Review B, Vol. 101, Issue 1 https://doi.org/10.1103/physrevb.101.014431	journal	January 2020
Spin and valley splittings in Janus monolayer WSSe on a MnO(111) surface: Large effective Zeeman field and opening of a helical gap Zhou, Wenzhe; Yang, Zhixiong; Li, Aolin Physical Review B, Vol. 101, Issue 4 https://doi.org/10.1103/physrevb.101.045113	journal	January 2020
Topological spin texture in Janus monolayers of the chromium trihalides Cr(I, X ) 3 Xu, Changsong; Feng, Junsheng; Prokhorenko, Sergei Physical Review B, Vol. 101, Issue 6 https://doi.org/10.1103/physrevb.101.060404	journal	February 2020
Janus single layers of In 2 SSe : A first-principles study Kandemir, A.; Sahin, H. Physical Review B, Vol. 97, Issue 15 https://doi.org/10.1103/physrevb.97.155410	journal	April 2018
Layer and doping tunable ferromagnetic order in two-dimensional Cr S 2 layers Wang, Cong; Zhou, Xieyu; Pan, Yuhao Physical Review B, Vol. 97, Issue 24 https://doi.org/10.1103/physrevb.97.245409	journal	June 2018
Universality of electronic characteristics and photocatalyst applications in the two-dimensional Janus transition metal dichalcogenides Xia, Congxin; Xiong, Wenqi; Du, Juan Physical Review B, Vol. 98, Issue 16 https://doi.org/10.1103/physrevb.98.165424	journal	October 2018
van der Waals heterostructure for photocatalysis: Graphitic carbon nitride and Janus transition-metal dichalcogenides Arra, Srilatha; Babar, Rohit; Kabir, Mukul Physical Review Materials, Vol. 3, Issue 9 https://doi.org/10.1103/physrevmaterials.3.095402	journal	September 2019
Spin polarization properties of two-dimensional MoSeTe induced by transition-metal doping: first-principles calculations Li, Yuan; Qiu, Bin; Zhao, Xiuwen The European Physical Journal B, Vol. 92, Issue 12 https://doi.org/10.1140/epjb/e2019-100286-1	journal	December 2019
First-principles investigations of the stability and electronic properties of fluorinated Janus MoSSe monolayer Tang, Mei; Zhang, Fuchun; Chen, Shanjun Journal of Theoretical and Computational Chemistry, Vol. 18, Issue 05 https://doi.org/10.1142/s021963361950024x	journal	August 2019
Recent Progresses in the Growth of Two-dimensional Transition Metal Dichalcogenides Jung, Yeonjoon; Ji, Eunji; Capasso, Andrea Journal of the Korean Ceramic Society, Vol. 56, Issue 1 https://doi.org/10.4191/kcers.2019.56.1.12	journal	January 2019
Potential 2D thermoelectric materials ATeI (A=Sb and Bi) monolayers from a first-principles study Guo, San-Dong; Zhang, Ai-Xia arXiv https://doi.org/10.48550/arxiv.1703.06406	text	January 2017
Spin-orbit coupling induced valley Hall effects in transition-metal dichalcogenides Zhou, Benjamin T.; Taguchi, Katsuhisa; Kawaguchi, Yuki arXiv https://doi.org/10.48550/arxiv.1712.02942	text	January 2017
Environmental Stability of Bismuthene: Oxidation Mechanism and Structural Stability of 2D Pnictogens Kistanov, Andrey A.; Khadiullin, Salavat Kh.; Zhou, Kun arXiv https://doi.org/10.48550/arxiv.1907.04806	text	January 2019

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