Cargando…

Compressive behavior and electronic properties of ammonia ice: a first-principles study

Understanding the compressive behavior of ammonia ice is an enduring topic due to its salient implications in planetology and the origin of life as well as its applications in agriculture and industry. Currently, the most stable crystal structures of ammonia ice with increasing pressure have been de...

Descripción completa

Detalles Bibliográficos
Autores principales:	Yu, Xueke, Jiang, Xue, Su, Yan, Zhao, Jijun
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2020
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9055507/ https://www.ncbi.nlm.nih.gov/pubmed/35519755 http://dx.doi.org/10.1039/d0ra03248d

Ejemplares similares

First-principles study of structural, elastic and electronic properties of naphyne and naphdiyne
por: Liu, Chuan, et al.
Publicado: (2020)

The effect of oxidation on the electronic properties of penta-graphene: first-principles calculation
por: Li, Lin, et al.
Publicado: (2019)

A first-principles calculation of structural, mechanical, thermodynamic and electronic properties of binary Ni–Y compounds
por: Zhou, YunXuan, et al.
Publicado: (2018)

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

First-principles study on the electronic and optical properties of Bi(2)WO(6)
por: Ahmad, Haseeb, et al.
Publicado: (2021)

First-principles study on structural, electronic, magnetic and thermodynamic properties of lithium ferrite LiFe(5)O(8)
por: Kim, Su-Yong, et al.
Publicado: (2022)

Electronic and optical properties of silicene on GaAs(111) with hydrogen intercalation: a first-principles study
por: Yu, Ting, et al.
Publicado: (2021)

The impact of temperature and unwanted impurities on slow compression of ice
por: Tonauer, Christina M., et al.
Publicado: (2021)

Study on the long time aging behavior of MAPbI(3): from experiment to first-principles simulation
por: Li, Yan, et al.
Publicado: (2022)

A first-principles study of electronic and optical properties of the tetragonal phase of monolayer ZnS modulated by biaxial strain
por: Liu, Bin, et al.
Publicado: (2022)

Insight into the electronic and thermodynamic properties of NbSi(2) from first-principles calculations
por: Wang, Shuanglun, et al.
Publicado: (2018)

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

A systematic study of work function and electronic properties of MXenes from first principles
por: Yusupov, Khabib, et al.
Publicado: (2023)

Electronic structure and optical properties of doped γ-CuI scintillator: a first-principles study
por: Li, Meicong, et al.
Publicado: (2023)

The structural, electronic and optical properties of γ-glycine under pressure: a first principles study
por: Mei, Aaron, et al.
Publicado: (2019)

The electronic and mechanical properties of (U, Th)O(2) compounds: a first-principles study
por: Zhu, Jianguo, et al.
Publicado: (2023)

Quantum tailoring of electronic properties in covalently functionalized graphene: application to ammonia gas detection
por: Dammak, A., et al.
Publicado: (2022)

First-Principle Insight Into the Effects of Oxygen Vacancies on the Electronic, Photocatalytic, and Optical Properties of Monoclinic BiVO(4)(001)
por: Gu, Xiaosong, et al.
Publicado: (2020)

Structural, electronic, and optical properties of cubic formamidinium lead iodide perovskite: a first-principles investigation
por: Wang, Sanjun, et al.
Publicado: (2020)

First-principles study on the effects of N and Al doping on the mechanical properties and electronic structures of TiC
por: Cao, Zhinan, et al.
Publicado: (2020)

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

Retraction: First-principle investigations of structural, electronic, magnetic and optical properties of bulk BiVO(3)
por: Shore, Andrew
Publicado: (2019)

First-principles simulation insights of electronic and optical properties: Li(6)PS(5)Cl system
por: Han, Nguyen Thi, et al.
Publicado: (2022)

First principles prediction of electronic, mechanical, transport and optical properties of the silicane/Ga(2)SSe heterostructure
por: Pham, Khang D.
Publicado: (2022)

Numerical characterization of the electronic and optical properties of plumbene/hBN heterobilayer using first-principles study
por: Hiramony, Nishat Tasnim, et al.
Publicado: (2023)

Structural and configurational properties of nanoconfined monolayer ice from first principles
por: Corsetti, Fabiano, et al.
Publicado: (2016)

A first-principles study of strain tuned optical properties in monolayer tellurium
por: Wang, Jinjin, et al.
Publicado: (2019)

Ice-assisted electron-beam lithography for MoS(2) transistors with extremely low-energy electrons
por: Yao, Guangnan, et al.
Publicado: (2022)

First principles study of ferroelectric hexagonal compounds RInO(3) (R = Dy, Er, and Ho): electronic structure, optical and dielectric properties
por: Yu, Yifei, et al.
Publicado: (2020)

Sc/C codoping effect on the electronic and optical properties of the TiO(2) (101) surface: a first-principles study
por: Li, Dongxiang, et al.
Publicado: (2021)

First principles study of the stability of MXenes under an electron beam
por: Ibragimova, Rina, et al.
Publicado: (2021)

Electronic, optical and thermoelectric properties of Fe(2)ZrP compound determined via first-principles calculations
por: Pakizeh, Esmaeil, et al.
Publicado: (2019)

Effect of temperature on structural, dynamical, and electronic properties of Sc(2)Te(3) from first-principles calculations
por: Zewdie, Getasew Mulualem, et al.
Publicado: (2022)

Electronic and magnetic properties of a black phosphorene/Tl(2)S heterostructure with transition metal atom intercalation: a first-principles study
por: Wang, Yusheng, et al.
Publicado: (2019)

First-principles study on electronic states of In(2)Se(3)/Au heterostructure controlled by strain engineering
por: Han, Sha, et al.
Publicado: (2023)

New refractory MAB phases and their 2D derivatives: insight into the effects of valence electron concentration and chemical composition
por: Liu, Yinqiao, et al.
Publicado: (2020)

First-principles study on the mechanical and electronic properties of energetic molecular perovskites AM(ClO(4))(3) (A = C(6)H(14)N(2)(2+), C(4)H(12)N(2)(2+), C(6)H(14)N(2)O(2+); M = Na(+), K(+))
por: Li, Qiaoli, et al.
Publicado: (2022)

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)

The stability and electronic and photocatalytic properties of the ZnWO(4) (010) surface determined from first-principles and thermodynamic calculations
por: Wu, Yonggang, et al.
Publicado: (2021)

First principles study of electronic and optical properties and photocatalytic performance of GaN–SiS van der Waals heterostructure
por: Ullah, S. S., et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_35gupanbk0tvgp1i242vojfvi1