Cargando…

First-principles simulation insights of electronic and optical properties: Li(6)PS(5)Cl system

We perform the electronic and optical properties of the Li(6)PS(5)Cl compound using first-principles calculation. The featured physical and chemical pictures and orbital hybridizations in all Li–S and P–S chemical bonds are clearly exhibited, such as the optimized geometry, the quasi-particle energy...

Descripción completa

Detalles Bibliográficos
Autores principales:	Han, Nguyen Thi, Bang-Li, Wei, Lin, Kuang-I., Dien, Vo Khuong, Lin, Ming-Fa
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9661960/ https://www.ncbi.nlm.nih.gov/pubmed/36425692 http://dx.doi.org/10.1039/d2ra05900b

Ejemplares similares

Electronic and Optical Properties of CsGeX(3) (X= Cl, Br, and I) Compounds
por: Thi Han, Nguyen, et al.
Publicado: (2022)

Excitonic effects in the optical spectra of Li(2)SiO(3) compound
por: Han, Nguyen Thi, et al.
Publicado: (2021)

Electronic and optical properties of graphene, silicene, germanene, and their semi-hydrogenated systems
por: Khuong Dien, Vo, et al.
Publicado: (2022)

Spin-dependent Optical Excitations in LiFeO(2)
por: Dien, Vo Khuong, et al.
Publicado: (2021)

First-principles studies of electronic properties in lithium metasilicate (Li(2)SiO(3))
por: Han, Nguyen Thi, et al.
Publicado: (2020)

Fundamental features of AlCl(4)(−)-/AlCl(4)-graphite intercalation compounds of aluminum-ion-based battery cathodes
por: Li, Wei-Bang, et al.
Publicado: (2022)

Theoretical investigations of the electronic and optical properties of a GaGeTe monolayer
por: Han, Nguyen Thi, et al.
Publicado: (2023)

Correction: Theoretical investigations of the electronic and optical properties of a GaGeTe monolayer
por: Thi Han, Nguyen, et al.
Publicado: (2023)

Orbital-hybridization-created optical excitations in Li(2)GeO(3)
por: Dien, Vo Khuong, et al.
Publicado: (2021)

Insights into Structural, Electronic, and Transport Properties of Pentagonal PdSe(2) Nanotubes Using First-Principles Calculations
por: Tien, Nguyen Thanh, et al.
Publicado: (2023)

Optical excitations of graphene-like materials: group III-nitrides
por: Han, Nguyen Thi, et al.
Publicado: (2023)

Electronic Structure and Lithium Diffusion in LiAl(2)(OH)(6)Cl Studied by First Principle Calculations
por: Zhang, Yueping, et al.
Publicado: (2019)

Presence of Li Clusters in Molten LiCl-Li
por: Merwin, Augustus, et al.
Publicado: (2016)

Ionic and Electronic Conductivities of Lithium Argyrodite Li(6)PS(5)Cl Electrolytes Prepared via Wet Milling and Post-Annealing
por: Lee, Jae Min, et al.
Publicado: (2021)

Interaction in Li@Fullerenes and Li(+)@Fullerenes: First Principle Insights to Li-Based Endohedral Fullerenes
por: Bai, Hongcun, et al.
Publicado: (2019)

First-principles study on the structural, elastic, electronic and optical properties of LiNbO(3)
por: Hossain, Md. Moazzem
Publicado: (2019)

Featured properties of Li(+)-based battery anode: Li(4)Ti(5)O(12)
por: Nguyen, Thi Dieu Hien, et al.
Publicado: (2020)

Principles of electron optics
por: Hawkes, P W, et al.
Publicado: (1996)

High ionic conductivity of multivalent cation doped Li(6)PS(5)Cl solid electrolytes synthesized by mechanical milling
por: Hikima, Kazuhiro, et al.
Publicado: (2020)

Unveiling Solid Electrolyte Interphase Formation at the Molecular Level: Computational Insights into Bare Li-Metal Anode and Li(6)PS(5–x)Se(x)Cl Argyrodite Solid Electrolyte
por: Golov, Andrey, et al.
Publicado: (2023)

Insight into the exemplary structural, elastic, electronic and optical nature of GaBeCl(3) and InBeCl(3): a DFT study
por: Shah, Saima Ahmad, et al.
Publicado: (2022)

Principles of electron optics: wave optics
por: Hawkes, Peter W, et al.
Publicado: (1994)

Cl- and Al-Doped Argyrodite Solid Electrolyte Li(6)PS(5)Cl for All-Solid-State Lithium Batteries with Improved Ionic Conductivity
por: Choi, Yeong Jun, et al.
Publicado: (2022)

First-principle insight into the structural, electronic, elastic and optical properties of Cs-based double perovskites Cs(2)XCrCl(6) (X = K, Na)
por: Al-Humaidi, Jehan Y., et al.
Publicado: (2023)

Effect of current density on the solid electrolyte interphase formation at the lithium∣Li(6)PS(5)Cl interface
por: Narayanan, Sudarshan, et al.
Publicado: (2022)

Sn-Substituted Argyrodite Li(6)PS(5)Cl Solid Electrolyte for Improving Interfacial and Atmospheric Stability
por: Kang, Seul-Gi, et al.
Publicado: (2023)

First-principles prediction of chemically functionalized InN monolayers: electronic and optical properties
por: Vu, Tuan V., et al.
Publicado: (2020)

Correction: Insight into the exemplary structural, elastic, electronic and optical nature of GaBeCl(3) and InBeCl(3): a DFT study
por: Shah, Saima Ahmad, et al.
Publicado: (2022)

Optical and electronic properties of lithium thiogallate (LiGaS(2)): experiment and theory
por: Vu, Tuan V., et al.
Publicado: (2020)

Structural, Electronic, and Nonlinear Optical Properties of C(66)H(4) and C(70)Cl(6) Encapsulating Li and F Atoms
por: Zhang, Ying, et al.
Publicado: (2021)

Hydration of LiOH and LiCl—Near-Infrared Spectroscopic Analysis
por: Takeuchi, Masato, et al.
Publicado: (2021)

Computational insights into structural, electronic, and optical properties of Janus GeSO monolayer
por: Do, Thi-Nga, et al.
Publicado: (2021)

First-principles insights onto structural, electronic and optical properties of Janus monolayers CrXO (X = S, Se, Te)
por: Linh, Tran P. T., et al.
Publicado: (2021)

LiYbCl(4)(THF)(4)
por: Richtera, Lukas, et al.
Publicado: (2011)

LiCl-induced sickness modulates rat gustatory cortical responses
por: Stone, Bradly T., et al.
Publicado: (2022)

Structural, electronic and optical properties of pristine and functionalized MgO monolayers: a first principles study
por: Hoat, D. M., et al.
Publicado: (2020)

Facile Synthesis toward the Optimal Structure-Conductivity Characteristics of the Argyrodite Li(6)PS(5)Cl Solid-State Electrolyte
por: Yu, Chuang, et al.
Publicado: (2018)

LiCl-promoted amination of β-methoxy amides (γ-lactones)
por: Zhao, Ru, et al.
Publicado: (2020)

A Binary Salt Mixture LiCl–LiOH for Thermal Energy Storage
por: Hassan, Naveed, et al.
Publicado: (2023)

Glass Polymorphism in Hyperquenched Aqueous LiCl Solutions
por: Giebelmann, Johannes, et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_v3o1t2c49apm3hlsikgmgamft7