Cargando…

Thermal Stability and Vibrational Properties of the 6,6,12-Graphyne-Based Isolated Molecules and Two-Dimensional Crystal

We report the geometry, kinetic energy, and some optical properties of the 6,6,12-graphyne-based systems. We obtained the values of their binding energies and structural characteristics such as bond lengths and valence angles. Moreover, using nonorthogonal tight-binding molecular dynamics, we carrie...

Descripción completa

Detalles Bibliográficos
Autores principales:	Dolina, Ekaterina S., Kulyamin, Pavel A., Grekova, Anastasiya A., Kochaev, Alexey I., Maslov, Mikhail M., Katin, Konstantin P.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10003780/ https://www.ncbi.nlm.nih.gov/pubmed/36903079 http://dx.doi.org/10.3390/ma16051964

Ejemplares similares

Synthesis of radiaannulene oligomers to model the elusive carbon allotrope 6,6,12-graphyne
por: Kilde, Martin Drøhse, et al.
Publicado: (2019)

Ab Initio Insight into the Interaction of Metal-Decorated Fluorinated Carbon Fullerenes with Anti-COVID Drugs
por: Katin, Konstantin P., et al.
Publicado: (2022)

Thermoelectric Properties of Pristine Graphyne and the BN-Doped Graphyne Family
por: Deb, Jyotirmoy, et al.
Publicado: (2021)

Clinicopathological Characteristics of Gynecological Cancer Associated with Hypoxia-Inducible Factor 1α Expression: A Meta-Analysis Including 6,612 Subjects
por: Jin, Yue, et al.
Publicado: (2015)

Cp-Graphyne: A Low-Energy Graphyne Polymorph with Double Distorted Dirac Points
por: Nulakani, Naga Venkateswara Rao, et al.
Publicado: (2017)

High impact resistance in graphyne
por: Yang, Yang, et al.
Publicado: (2020)

Energy and Electronic Properties of Nanostructures Based on the CL-20 Framework with the Replacement of the Carbon Atoms by Silicon and Germanium: A Density Functional Theory Study
por: Gimaldinova, Margarita A., et al.
Publicado: (2022)

Electronic, Thermal and Mechanical Properties of Carbon and Boron Nitride Holey Graphyne Monolayers
por: Mortazavi, Bohayra
Publicado: (2023)

On the Impact of Substrate Uniform Mechanical Tension on the Graphene Electronic Structure
por: Katin, Konstantin P., et al.
Publicado: (2020)

Mechanical properties of γ-graphyne nanotubes
por: Li, Maoyuan, et al.
Publicado: (2018)

The effect of glucocorticoids on mortality in severe COVID-19 patients: Evidence from 13 studies involving 6612 cases
por: Yu, Guang-Qing, et al.
Publicado: (2021)

Diffusion and self-assembly of C(60) molecules on monolayer graphyne sheets
por: Ozmaian, Masoumeh, et al.
Publicado: (2016)

Study of Electronic Structure, Thermal Conductivity, Elastic and Optical Properties of α, β, γ-Graphyne
por: Hou, Xun, et al.
Publicado: (2018)

Computer Test of a Modified Silicene/Graphite Anode for Lithium-Ion Batteries
por: Galashev, Alexander Y., et al.
Publicado: (2020)

Graphynes: an alternative lightweight solution for shock protection
por: Xia, Kang, et al.
Publicado: (2019)

Phonon Transport and Thermoelectric Properties of Imidazole-Graphyne
por: Chen, Yanyan, et al.
Publicado: (2021)

Toward the synthesis, fluorination and application of N–graphyne
por: Abdi, Gisya, et al.
Publicado: (2020)

Graphynes: indispensable nanoporous architectures in carbon flatland
por: James, Anto, et al.
Publicado: (2018)

Data on generation of Kekulé structures for graphenes, graphynes, nanotubes and fullerenes and their aza-analogs
por: Trepalin, Sergey, et al.
Publicado: (2018)

Advances on Graphyne‐Family Members for Superior Photocatalytic Behavior
por: Torres‐Pinto, André, et al.
Publicado: (2021)

The Band-Gap Modulation of Graphyne Nanoribbons by Edge Quantum Entrapment
por: Liu, Yonghui, et al.
Publicado: (2018)

Aqueous proton-selective conduction across two-dimensional graphyne
por: Shi, Le, et al.
Publicado: (2019)

Effect of Acetylene Links on Electronic and Optical Properties of Semiconducting Graphynes
por: Li, Yang, et al.
Publicado: (2021)

Evaluating the appropriateness of γ-graphyne derivatives as electrode materials for supercapacitors
por: Kenarsari, Mahsa Abbasi, et al.
Publicado: (2023)

Performance Analysis of an α-Graphyne Nano-Field Effect Transistor
por: Khan, Habibullah, et al.
Publicado: (2023)

Quantized Water Transport: Ideal Desalination through Graphyne-4 Membrane
por: Zhu, Chongqin, et al.
Publicado: (2013)

On‐Surface Assembly of Hydrogen‐ and Halogen‐Bonded Supramolecular Graphyne‐Like Networks
por: Yang, Zechao, et al.
Publicado: (2020)

Developments in Synthesis and Potential Electronic and Magnetic Applications of Pristine and Doped Graphynes
por: Abdi, Gisya, et al.
Publicado: (2021)

Nonlinear Finite Element Analysis of γ-Graphyne Structures under Shearing
por: Siampanis, Sotirios G., et al.
Publicado: (2022)

Mechanical and gas adsorption properties of graphene and graphynes under biaxial strain
por: de Oliveira, Raphael B., et al.
Publicado: (2022)

Strain and magnetic field effects on the electronic and transport properties of γ-graphyne
por: Rezania, H., et al.
Publicado: (2023)

Computational Studies on Diverse Characterizations of Molecular Descriptors for Graphyne Nanoribbon Structures
por: Raza, Muhammad Awais, et al.
Publicado: (2023)

Colossal figure of merit and compelling HER catalytic activity of holey graphyne
por: Sajjad, Muhammad, et al.
Publicado: (2023)

Graphyne-3: a highly efficient candidate for separation of small gas molecules from gaseous mixtures
por: Azizi, Khatereh, et al.
Publicado: (2021)

Magnetic Exchange Coupling and Anisotropy of 3d Transition Metal Nanowires on Graphyne
por: He, Junjie, et al.
Publicado: (2014)

Electronic properties of α-graphyne on hexagonal boron nitride and α-BNyne substrates
por: Di, Maoyun, et al.
Publicado: (2019)

Porous hydrogen substituted graphyne as a promising anode for lithium-ion batteries
por: Wan, Bo, et al.
Publicado: (2021)

Silver cluster doped graphyne (GY) with outstanding non-linear optical properties
por: Zahid, Saba, et al.
Publicado: (2022)

New materials graphyne, graphdiyne, graphone, and graphane: review of properties, synthesis, and application in nanotechnology
por: Peng, Qing, et al.
Publicado: (2014)

The spin-dependent transport properties of zigzag α-graphyne nanoribbons and new device design
por: Ni, Yun, et al.
Publicado: (2016)

Cannot write session to /tmp/vufind_sessions/sess_utifcl5mvv95v9l3fup9fp0ue6