Interfacing 2D VS2 with Janus MoSSe: Antiferromagnetic electric polarization and charge transfer driven Half-metallicity

Article


Wijethunge, Dimuthu, Zhang, Lei, Tang, Cheng, Sanvito, Stefano and Du, Aijun. 2021. "Interfacing 2D VS2 with Janus MoSSe: Antiferromagnetic electric polarization and charge transfer driven Half-metallicity." Applied Surface Science. 570. https://doi.org/10.1016/j.apsusc.2021.151129
Article Title

Interfacing 2D VS2 with Janus MoSSe: Antiferromagnetic electric polarization and charge transfer driven Half-metallicity

ERA Journal ID1087
Article CategoryArticle
AuthorsWijethunge, Dimuthu, Zhang, Lei, Tang, Cheng, Sanvito, Stefano and Du, Aijun
Journal TitleApplied Surface Science
Journal Citation570
Article Number151129
Number of Pages8
Year2021
PublisherElsevier
Place of PublicationNetherlands
ISSN0169-4332
1873-5584
Digital Object Identifier (DOI)https://doi.org/10.1016/j.apsusc.2021.151129
Web Address (URL)https://www.sciencedirect.com/science/article/pii/S0169433221021851
Abstract

Half metallic 2D materials with 100% spin polarization at the fermi level can be applied to spintronics to enhance the device efficiency. We identified that the Janus MoSSe monolayer can induce halfmetallicity in the VS2 bilayer whose ground state magnetic order remains in an antiferromagnetic configuration. We established that half-metallicity in the bilayer VS2 is caused by the induced electric field originating from the out-of-plane electrical polarization of the Janus MoSSe layer, charge transfer between MoSSe and VS2 layers and inter layer hybridization in Mo and V atom d z2 orbitals. We also established that the Interlayer charge transfer between MoSSe and VS2 layers has largely reduced the required electric field to induce the half metallicity by shifting the electronic bands closer to the fermi level. Otherwise, inbuilt electrical polarization generated by Janus MoSSe layer becomes insufficient. This highlight that the external electric field which is required to induce half metallicity can be reduced by manipulating the charge transfer. These novel findings can be adopted to induce half metallic characteristics to many magnetic materials used in spintronic devices, and in the foreseeable future.

KeywordsVS2; MoSSe; Half Metal ; Antiferromagnetic; Ferromagnetic; 2D materials
Contains Sensitive ContentDoes not contain sensitive content
ANZSRC Field of Research 2020401807. Nanomaterials
Public Notes

Files associated with this item cannot be displayed due to copyright restrictions.

Byline AffiliationsQueensland University of Technology
Trinity College, Ireland
Permalink -

https://research.usq.edu.au/item/z764q/interfacing-2d-vs2-with-janus-mosse-antiferromagnetic-electric-polarization-and-charge-transfer-driven-half-metallicity

Download files


Accepted Version
  • 26
    total views
  • 18
    total downloads
  • 0
    views this month
  • 0
    downloads this month

Export as

Related outputs

Engineering Interfacial Molecular Interactions on Ag Hollow Fibre Gas Diffusion Electrodes for High Efficiency in CO2 Conversion to CO
Kuang, Yizhu, Chen, Guoliang, Herath Mudiyanselage, Dimuthu, Rabiee, Hesamoddin, Ma, Beibei, Dorosti, Fatereh, Nanjundan, Ashok Kumar, Zhu, Zhonghua, Wang, Hao and Ge, Lei. 2024. "Engineering Interfacial Molecular Interactions on Ag Hollow Fibre Gas Diffusion Electrodes for High Efficiency in CO2 Conversion to CO." Chemistry: A European Journal. https://doi.org/10.1002/chem.202403251
Doping Regulation Stabilizing δ-MnO2 Cathode for High-Performance Aqueous Aluminium-ion Batteries
Chen, Shuimei, Kong, Yueqi, Tang, Cheng, Gadelhak, Nashaat Ahmed, Nanjundan, Ashok Kumar, Du, Aijun, Yu, Chengzhong and Huang, Xiaodan. 2024. "Doping Regulation Stabilizing δ-MnO2 Cathode for High-Performance Aqueous Aluminium-ion Batteries ." Small. 20 (32). https://doi.org/10.1002/smll.202312229
Electric Polarization and Charge Transfer Driven Antiferromagnetic Half-Metallicity in 2D VS2 /MoSSe Heterostructures
Herath, Dimuthu. 2023. "Electric Polarization and Charge Transfer Driven Antiferromagnetic Half-Metallicity in 2D VS2 /MoSSe Heterostructures." Centre for Theoretical and Computational Molecular Science Symposium 2023. Australia 13 - 14 Mar 2023 Australia.
A new operando surface restructuring pathway via ion-pairing of catalyst and electrolyte for water oxidation
Zhuang, Linzhou, Li, Zhiheng, Li, Mengran, Tao, Haolan, Mao, Xin, Lian, Cheng, Ge, Lei, Du, Aijun, Xu, Zhi, Shao, Zongping and Zhu, Zhonghua. 2023. "A new operando surface restructuring pathway via ion-pairing of catalyst and electrolyte for water oxidation." Chemical Engineering Journal. 454 (Part 1), pp. 1-10. https://doi.org/10.1016/j.cej.2022.140071
A Heterostructure Coupling of Exfoliated Ni–Fe Hydroxide Nanosheet and Defective Graphene as a Bifunctional Electrocatalyst for Overall Water Splitting
Jia, Yi, Zhang, Longzhou, Gao, Guoping, Chen, Hua, Wang, Bei, Zhou, Jizhi, Soo, Mun Teng, Hong, Min, Yan, Xuecheng, Qian, Guangren, Zou, Jin, Du, Aijun and Yao, Xiangdong. 2017. "A Heterostructure Coupling of Exfoliated Ni–Fe Hydroxide Nanosheet and Defective Graphene as a Bifunctional Electrocatalyst for Overall Water Splitting." Advanced Materials. 29 (17), pp. 1-8. https://doi.org/10.1002/adma.201700017
First-Principles Study of the Enhanced Magnetic Anisotropy and Transition Temperature in a CrSe2 Monolayer via Hydrogenation
Munirah, Munirah, Tang, Cheng, Wijethunge, Dimuthu, Qi, Dongchen and Du, Aijun. 2022. "First-Principles Study of the Enhanced Magnetic Anisotropy and Transition Temperature in a CrSe2 Monolayer via Hydrogenation." ACS Applied Electronic Materials. 4 (7), pp. 3240-3245. https://doi.org/10.1021/acsaelm.2c00476
Enabling two-electron redox chemistry of P-type organic cathode for high-capacity aluminium-ion batteries
Kong, Yueqi, Tang, Cheng, Lei, Chang, Nanjundan, Ashok K., Chen, Shuimei, Ahmed, Nashaat, Rakov, Dmitrii, Du, Aijun, Huang, Xiaodan and Yu, Chengzhong. 2022. "Enabling two-electron redox chemistry of P-type organic cathode for high-capacity aluminium-ion batteries." Nano Energy. 102. https://doi.org/10.1016/j.nanoen.2022.107727
Thermal Reductive Perforation of Graphene Cathode for High-Performance Aluminum-Ion Batteries
Kong, Yueqi, Tang, Cheng, Huang, Xiaodan, Nanjundan, Ashok Kumar, Zou, Jin, Du, Aijun and Yu, Chengzhong. 2022. "Thermal Reductive Perforation of Graphene Cathode for High-Performance Aluminum-Ion Batteries." Advanced Functional Materials. 31 (17). https://doi.org/10.1002/adfm.202010569
High‐performance perovskite composite electrocatalysts enabled by controllable interface engineering
Xu, Xiaomin, Pan, Yangli, Ge, Lei, Chen, Yubo, Mao, Xin, Guan, Daqin, Li, Mengran, Zhong, Yijun, Hu, Zhiwei, Peterson, Vanessa K., Saunders, Martin, Chen, Chien‐Te, Zhang, Haijuan, Ran, Ran, Du, Aijun, Wang, Hao, Jiang, San Ping, Zhou, Wei and Shao, Zongping. 2021. "High‐performance perovskite composite electrocatalysts enabled by controllable interface engineering." Small. 17 (29), pp. 1-10. https://doi.org/10.1002/smll.202101573
Controllable Polarization and Doping in Ferroelectric In2Se3 Monolayers and Heterobilayers via Intrinsic Defect Engineering
Tang, Cheng, Zhang, Lei, Wijethunge, Dimuthu, Ostrikov, Kostya Ken and Du, Aijun. 2021. "Controllable Polarization and Doping in Ferroelectric In2Se3 Monolayers and Heterobilayers via Intrinsic Defect Engineering." The Journal of Physical Chemistry C: Energy, Materials, and Catalysis. 125 (44), pp. 24648-24654. https://doi.org/10.1021/acs.jpcc.1c07141
Prediction of two-dimensional ferroelectric metal Mxenes
Wijethunge, Dimuthu, Zhang, Lei and Du, Aijun. 2021. "Prediction of two-dimensional ferroelectric metal Mxenes." Journal of Materials Chemistry C. 9 (34), pp. 11343-11348. https://doi.org/10.1039/D1TC02213J
First-principles prediction of spin-polarized multiple dirac rings in manganese fluoride
Jiao, Yalong, Ma, Fengxian, Zhang, Chunmei, Bell, John, Sanvito, Stefano and Du, Aijun. 2017. "First-principles prediction of spin-polarized multiple dirac rings in manganese fluoride." Physical Review Letters. 119 (1). https://doi.org/10.1103/PhysRevLett.119.016403
Predicting single-layer technetium dichalcogenides (TcX2, X = S, Se) with promising applications in photovoltaics and photocatalysis
Jiao, Yalong, Zhou, Liujiang, Ma, Fengxian, Gao, Guoping, Kou, Liangzhi, Bell, John, Sanvito, Stefano and Du, Aijun. 2016. "Predicting single-layer technetium dichalcogenides (TcX2, X = S, Se) with promising applications in photovoltaics and photocatalysis." ACS Applied Materials and Interfaces. 8 (8), pp. 5385-5392. https://doi.org/10.1021/acsami.5b12606
Ab initio study of two-dimensional PdPS as an ideal light harvester and promising catalyst for hydrogen evolution reaction
Jiao, Yalong, Ma, Fengxian, Zhou, Liujiang, Ng, Yun Hau, Bell, John, Tretiak, Sergei and Du, Aijun. 2018. "Ab initio study of two-dimensional PdPS as an ideal light harvester and promising catalyst for hydrogen evolution reaction." Materials Today Energy. 7, pp. 136-140. https://doi.org/10.1016/j.mtener.2018.01.005
Strain mediated bandgap reduction, light spectrum broadening, and carrier mobility enhancement of methylammonium lead/tin iodide perovskites
Jiao, Yalong, Ma, Fengxian, Wang, Hongxia, Bell, John and Du, Aijun. 2017. "Strain mediated bandgap reduction, light spectrum broadening, and carrier mobility enhancement of methylammonium lead/tin iodide perovskites." Particle and Particle Systems Characterization. 34 (4). https://doi.org/10.1002/ppsc.201600288
Two-dimensional boron hydride sheets: High stability, massless dirac fermions, and excellent mechanical properties
Jiao, Yalong, Ma, Fengxian, Bell, John, Bilic, Ante and Du, Aijun. 2016. "Two-dimensional boron hydride sheets: High stability, massless dirac fermions, and excellent mechanical properties." Angewandte Chemie. 55 (35), pp. 10292-10295. https://doi.org/10.1002/anie.201604369
Atypical defect motions in brittle layered sodium titanate nanowires
Bo, Arixin, Chen, Kai, Pickering, Edmund, Zhan, Haifei, Bell, John, Du, Aijun, Zhang, Yongqiang, Wang, Xiaoguang, Zhu, Huaiyong, Shan, Zhiwei and Gu, Yuantong. 2018. "Atypical defect motions in brittle layered sodium titanate nanowires." Journal of Physical Chemistry Letters. 9 (20), pp. 6052-6059. https://doi.org/10.1021/acs.jpclett.8b02349
Metal-free graphene/boron nitride heterointerface for CO2 reduction: Surface curvature controls catalytic activity and selectivity
Mao, Xin, Wijethunge, Dimuthu, Zhang, Lei, Wang, Sufan, Yan, Cheng, Zhu, Zhonghua and Du, Aijun. 2020. "Metal-free graphene/boron nitride heterointerface for CO2 reduction: Surface curvature controls catalytic activity and selectivity." Ecomat. 2 (1). https://doi.org/10.1002/eom2.12013
Computational screening of MN 4 (M= Ti–Cu) based metal organic frameworks for CO 2 reduction using the d-band centre as a descriptor
Mao, Mao, Tang, Cheng, He, Tianwei, Wijethunge, Dimuthu, Yan, Cheng, Zhu, Zhonghua and Du, Aijun. 2020. "Computational screening of MN 4 (M= Ti–Cu) based metal organic frameworks for CO 2 reduction using the d-band centre as a descriptor." Nanoscale. 12 (10), pp. 6188-6194. https://doi.org/10.1039/C9NR09529B
Bandstructure engineering in 2D materials using Ferroelectric materials
Wijethunge, Dimuthu, Tang, Cheng, Zhang, Chunmei, Zhang, Lei, Mao, Xin and Du, Aijun. 2020. "Bandstructure engineering in 2D materials using Ferroelectric materials." Applied Surface Science. 513. https://doi.org/10.1016/j.apsusc.2020.145817
Tuning band alignment and optical properties of 2D van der Waals heterostructure via ferroelectric polarization switching
Wijethunge, Dimuthu, Zhang, Lei, Tang, Cheng and Du, Aijun. 2020. "Tuning band alignment and optical properties of 2D van der Waals heterostructure via ferroelectric polarization switching." Frontiers of Physics. 15. https://doi.org/10.1007/s11467-020-0987-z
High efficient nanostructured PbSe0. 5Te0. 5 exhibiting broad figure-of-merit plateau
Nandihalli, Nandihalli, Wijethunge, Dimuthu, Kim, Kyomin, Kim, Jiyong and Gayner, Chhatrasal. 2019. "High efficient nanostructured PbSe0. 5Te0. 5 exhibiting broad figure-of-merit plateau." Journal of Alloys and Compounds. 785, pp. 862-870. https://doi.org/10.1016/j.jallcom.2019.01.105
Thermoelectric properties of Ni0. 05Mo3Sb5. 4Te1. 6 composites with NiSb nanocoating
Nandihalli, Nandihalli, Robert, Liang, Wijethunge, Dimuthu, Zhou, Norman and Kleinke, Holger. 2018. "Thermoelectric properties of Ni0. 05Mo3Sb5. 4Te1. 6 composites with NiSb nanocoating." AIP Advances. 8. https://doi.org/10.1063/1.5038675
New evaluation parameter for wearable thermoelectric generators
Wijethunge, Dimuthu and Kim, Woochul. 2018. "New evaluation parameter for wearable thermoelectric generators ." Journal of Applied Physics. 123 (14). https://doi.org/10.1063/1.5018762
Simplified human thermoregulatory model for designing wearable thermoelectric devices
Wijethunge, Dimuthu, Kim, Donggyu and Kim, Woochul. 2018. "Simplified human thermoregulatory model for designing wearable thermoelectric devices." Journal of Physics D: Applied Physics. 51. https://doi.org/10.1088/1361-6463/aaa17e
Zeeman splitting and dynamical mass generation in Dirac semimetal ZrTe5
Liu, Yanwen, Yuan, Xiang, Zhang, Cheng, Jin, Zhao, Narayan, Awadhesh, Luo, Chen, Chen, Zhigang, Yang, Lei, Zou, Jin, Wu, Xing, Sanvito, Stefano, Xia, Zhengcai, Li, Liang, Wang, Zhong and Xiu, Faxian. 2016. "Zeeman splitting and dynamical mass generation in Dirac semimetal ZrTe5." Nature Communications. 7 (12516), pp. 1-9. https://doi.org/10.1038/ncomms12516
Vertically-aligned carbon nanotube membranes for hydrogen separation
Ge, Lei, Wang, Li, Du, Aijun, Hou, Meng, Rudolph, Victor and Zhu, Zhonghua. 2012. "Vertically-aligned carbon nanotube membranes for hydrogen separation." RSC Advances: an international journal to further the chemical sciences. 2 (12), pp. 5329-5336. https://doi.org/10.1039/c2ra00031h
Enhanced hydrogen separation by vertically-aligned carbon nanotube membranes with zeolite imidazolate frameworks as a selective layer
Ge, Lei, Du, Aijun, Hou, Meng, Rudolph, Victor and Zhu, Zhonghua. 2012. "Enhanced hydrogen separation by vertically-aligned carbon nanotube membranes with zeolite imidazolate frameworks as a selective layer." RSC Advances: an international journal to further the chemical sciences. 2 (31), pp. 11793-11800. https://doi.org/10.1039/c2ra21460a
Porous polyethersulfone-supported zeolitic imidazolate framework membranes for hydrogen separation
Ge, Lei, Zhou, Wei, Du, Aijun and Zhu, Zhonghua. 2012. "Porous polyethersulfone-supported zeolitic imidazolate framework membranes for hydrogen separation." The Journal of Physical Chemistry C: Energy, Materials, and Catalysis. 116 (24), pp. 13264-13270. https://doi.org/10.1021/jp3035105
Strained graphitic carbon nitride for hydrogen purification
de Silva, S. W., Du, A., Senadeera, W. and Gu, Y.. 2017. "Strained graphitic carbon nitride for hydrogen purification." Journal of Membrane Science. 528, pp. 201-205. https://doi.org/10.1016/j.memsci.2017.01.034
Neutral and charged boron-doped fullerenes for CO2 adsorption
de Silva, Suchitra W., Du, Aijun, Senadeera, Wijitha and Gu, YuanTong. 2014. "Neutral and charged boron-doped fullerenes for CO2 adsorption." Beilstein Journal of Nanotechnology. 5, pp. 413-418. https://doi.org/10.3762/bjnano.5.49
More than half reduction in price per watt of thermoelectric device without increasing the thermoelectric figure of merit of materials
Hwang, Junphil, Kim, Hoon, Wijethunge, Dimuthu, Nandihalli, Nagaraj, Eom, Yoomin, Park, Hwanjoo, Kim, Jungwon and Kim, Woochul. 2017. "More than half reduction in price per watt of thermoelectric device without increasing the thermoelectric figure of merit of materials." Applied Energy. 205, pp. 1459-1466. https://doi.org/10.1016/j.apenergy.2017.09.080
Mat-like flexible thermoelectric system based on rigid inorganic bulk materials
Park, Hwanjoo, Kim, Donggyu, Eom, Yoomin, Wijethunge, Dimuthu, Hwang, Junphil, Kim, Hoon and Kim, Woochul. 2017. "Mat-like flexible thermoelectric system based on rigid inorganic bulk materials." Journal of Physics D: Applied Physics. 50. https://doi.org/10.1088/1361-6463/aa94f7
Flexible thermoelectric power generation system based on rigid inorganic bulk materials
Eom, Yoomin, Wijethunge, Dimuthu, Park, Hwanjoo, Park, Sang Hyun and Kim, Woochul. 2017. "Flexible thermoelectric power generation system based on rigid inorganic bulk materials." Applied Energy. 206, pp. 649-656. https://doi.org/10.1016/j.apenergy.2017.08.231