Cargando…

Induced Magnetism of the MoS(2) Monolayer during the Transition Metal (Fe/Ni) Bombardment Process: A Nonadiabatic Ab Initio Collision Dynamics Investigation

[Image: see text] The source of induced magnetism in the MoS(2) monolayer induced by transition metal (Fe/Ni) collision is investigated using nonadiabatic ab inito molecular dynamics simulations that take into account high-spin and low-spin energy states during trajectory integration. By considering...

Descripción completa

Detalles Bibliográficos
Autores principales:	Ho, Thi H., Hoang, Hieu T., Dong, Hieu C., Kawazoe, Yoshiyuki, Le, Hung M.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7346258/ https://www.ncbi.nlm.nih.gov/pubmed/32656436 http://dx.doi.org/10.1021/acsomega.0c01740

Ejemplares similares

Nonadiabatic Wave Packet Dynamics with Ab Initio Cavity-Born-Oppenheimer Potential Energy Surfaces
por: Schnappinger, Thomas, et al.
Publicado: (2023)

Effect of Pt Decoration on the Optical Properties of Pristine and Defective MoS(2): An Ab-Initio Study
por: Ramírez-de-Arellano, Juan Manuel, et al.
Publicado: (2022)

Structural and electronic properties of germanene/MoS(2) monolayer and silicene/MoS(2) monolayer superlattices
por: Li, Xiaodan, et al.
Publicado: (2014)

Non-volatile resistive switching mechanism in single-layer MoS(2) memristors: insights from ab initio modelling of Au and MoS(2) interfaces
por: Boschetto, Gabriele, et al.
Publicado: (2023)

Ab Initio Study of SOF(2) and SO(2)F(2) Adsorption on Co-MoS(2)
por: Gui, Yingang, et al.
Publicado: (2019)

Computational materials science: from ab initio to Monte Carlo methods
por: Ohno, Kaoru, et al.
Publicado: (1999)

Nanoindentation on Monolayer MoS(2) Kirigami
por: Wang, Beibei, et al.
Publicado: (2019)

Magnetism in monolayer 1T-MoS(2) and 1T-MoS(2)H tuned by strain
por: Xu, Wei, et al.
Publicado: (2018)

Spin-dependent thermoelectric effects in Fe-C(6) doped monolayer MoS(2)
por: Zhu, Lin, et al.
Publicado: (2017)

Large-Area Epitaxial Monolayer MoS(2)
por: Dumcenco, Dumitru, et al.
Publicado: (2015)

Interfacial Coupling Effect on Electron Transport in MoS(2)/SrTiO(3) Heterostructure: An Ab-initio Study
por: Bano, Amreen, et al.
Publicado: (2018)

Ab initio electronic properties of dual phosphorus monolayers in silicon
por: Drumm, Daniel W, et al.
Publicado: (2014)

The Synergistic Effect of MoS(2) and NiS on the Electrical Properties of Iron Anodes for Ni-Fe Batteries
por: Tang, Hongwei, et al.
Publicado: (2022)

Ultrafast time-resolved x-ray absorption spectroscopy of ionized urea and its dimer through ab initio nonadiabatic dynamics
por: Shakya, Yashoj, et al.
Publicado: (2021)

Nonadiabatic Derivative Couplings Calculated Using Information of Potential Energy Surfaces without Wavefunctions: Ab Initio and Machine Learning Implementations
por: Chen, Wen-Kai, et al.
Publicado: (2023)

A DFT Study on the Adsorption of H(2)S and SO(2) on Ni Doped MoS(2) Monolayer
por: Wei, Huangli, et al.
Publicado: (2018)

Elucidating the Role of Tetraethylammonium in the Silicate Condensation Reaction from Ab Initio Molecular Dynamics Simulations
por: Mai, Ngoc Lan, et al.
Publicado: (2020)

The Effect of V(MoS3) Point Defect on the Elastic Properties of Monolayer MoS2 with REBO Potentials
por: Li, Minglin, et al.
Publicado: (2016)

Ferromagnetism in Transitional Metal-Doped MoS(2) Monolayer
por: Fan, Xiao-Li, et al.
Publicado: (2016)

Optimization of Monolayer MoS(2) with Prescribed Mechanical Properties
por: Kuś, Wacław, et al.
Publicado: (2022)

Operando Study of Thermal Oxidation of Monolayer MoS(2)
por: Park, Sangwook, et al.
Publicado: (2021)

Indirect Band Gap in Scrolled MoS(2) Monolayers
por: Na, Jeonghyeon, et al.
Publicado: (2022)

Controlled synthesis of ultrathin MoS(2) nanoflowers for highly enhanced NO(2) sensing at room temperature
por: Thang, Nguyen Tat, et al.
Publicado: (2020)

Intersystem crossing-branched excited-state intramolecular proton transfer for o-nitrophenol: An ab initio on-the-fly nonadiabatic molecular dynamic simulation
por: Xu, Chao, et al.
Publicado: (2016)

Magnetic NiFe thin films composing MoS(2) nanostructures for spintronic application
por: Yousef Vand, Mahdi, et al.
Publicado: (2022)

Ab initio determination on diffusion coefficient and viscosity of FeNi fluid under Earth’s core condition
por: Li, Wei-Jie, et al.
Publicado: (2022)

Study on the Performance of Ni–MoS(2) Catalysts with Different MoS(2) Structures for Dibenzothiophene Hydrodesulfurization
por: Yang, Chuangchuang, et al.
Publicado: (2023)

Graphene/MoS(2)/FeCoNi(OH)(x) and Graphene/MoS(2)/FeCoNiP(x) multilayer-stacked vertical nanosheets on carbon fibers for highly efficient overall water splitting
por: Ji, Xixi, et al.
Publicado: (2021)

Ab initio calculation of valley splitting in monolayer δ-doped phosphorus in silicon
por: Drumm, Daniel W, et al.
Publicado: (2013)

Ab initio study of adsorption and diffusion of lithium on transition metal dichalcogenide monolayers
por: Sun, Xiaoli, et al.
Publicado: (2017)

Electromechanics in MoS(2) and WS(2): nanotubes vs. monolayers
por: Ghorbani-Asl, Mahdi, et al.
Publicado: (2013)

Electronic structures of defects and magnetic impurities in MoS(2) monolayers
por: Lu, Shang-Chun, et al.
Publicado: (2014)

Electronic and magnetic properties of Co doped MoS(2) monolayer
por: Wang, Yiren, et al.
Publicado: (2016)

Resolving the spin splitting in the conduction band of monolayer MoS(2)
por: Marinov, Kolyo, et al.
Publicado: (2017)

CVD-grown monolayer MoS(2) in bioabsorbable electronics and biosensors
por: Chen, Xiang, et al.
Publicado: (2018)

Boundary activated hydrogen evolution reaction on monolayer MoS(2)
por: Zhu, Jianqi, et al.
Publicado: (2019)

Dewetting of monolayer water and isopropanol between MoS(2) nanosheets
por: Wang, Beibei, et al.
Publicado: (2018)

Tuning the Fröhlich exciton-phonon scattering in monolayer MoS(2)
por: Miller, Bastian, et al.
Publicado: (2019)

Surface Modification of Monolayer MoS(2) by Baking for Biomedical Applications
por: Wang, Yan, et al.
Publicado: (2020)

Mechanical Properties of Monolayer MoS(2) with Randomly Distributed Defects
por: Akhter, Mohammed Javeed, et al.
Publicado: (2020)

Cannot write session to /tmp/vufind_sessions/sess_puqhqmdpped264nn5tg3nn2pfi