Buchumschlag

First-Principles and Machine Learning Investigation of the Structural and Optoelectronic Properties of Dodecaphenylyne: A Novel Carbon Allotrope

Fuente: arXiv

Gespeichert in:

Bibliographische Detailangaben
Hauptverfasser:	Lima, Kleuton A. L., Laranjeira, Jose A. S., Martins, Nicolas F., Sambrano, Julio R., Dias, Alexandre C., Junior, Luiz A. Ribeiro, Galvao, Douglas S.
Format:	Preprint
Veröffentlicht:	2025
Schlagworte:	Materials Science
Online-Zugang:	Acceder al recurso
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Ähnliche Einträge

A Three-Dimensional Dodecaphenylyne-Derived Carbon Allotrope with Anisotropic and Auxetic-Like Mechanical Behavior
von: Lima, Kleuton A. L., et al.
Veröffentlicht: (2025)

A Novel Graphyne-Like Carbon Allotrope: 2D Dewar-Anthracyne
von: Laranjeira, José A. S., et al.
Veröffentlicht: (2025)

TPHE-Graphene: A First-Principles Study of a New 2D Carbon Allotrope for Hydrogen Storage
von: Laranjeira, José A. S., et al.
Veröffentlicht: (2025)

Petal-Graphyne: A Novel 2D Carbon Allotrope for High-Performance Li and Na Ion Storage
von: Lima, Kleuton A. L., et al.
Veröffentlicht: (2025)

$β$-Irida-Graphene: A New 2D Carbon Allotrope for Sodium-Ion Battery Anodes
von: Laranjeira, José A. S., et al.
Veröffentlicht: (2025)

Quadrene: A Novel Quasi-2D Carbon Allotrope with High Carrier Mobility
von: Lima, Kleuton A. L., et al.
Veröffentlicht: (2025)

Alpha-, Beta-, and Gamma-TODD-G: Novel 2D Planar Carbon Allotropes
von: Lima, Kleuton A. L., et al.
Veröffentlicht: (2025)

From 2D to 1D in beta-Naphthyne: A Porous Carbon Allotrope Merging Graphyne and Naphthylene
von: Laranjeira, Jose A. S., et al.
Veröffentlicht: (2025)

Athos-Graphene: Computational Discovery of an Art-Inspired 2D Carbon Anode for Lithium-Ion Batteries
von: Lima, Kleuton A. L., et al.
Veröffentlicht: (2025)

Sodium-Decorated Ennea-Graphene: A Novel 2D Carbon Allotrope for High-Capacity Hydrogen Storage
von: Huacarpuma, Bill D. Aparicio, et al.
Veröffentlicht: (2025)

Physicochemical Characterization of a New 2D Semiconductor Carbon Allotrope, C16: An Investigation via Density Functional Theory and Machine Learning-based Molecular Dynamics
von: Lima, Kleuton A. L., et al.
Veröffentlicht: (2025)

Exploring the Potential of Two-dimensional Borospherene for Toxic Gas Sensing and Capture: A DFT Study
von: Martins, Nicolas F., et al.
Veröffentlicht: (2026)

Potassium Decoration on Graphenyldiene Monolayer for Advanced Reversible Hydrogen Storage
von: Laranjeira, Jose A. S., et al.
Veröffentlicht: (2025)

Sodium-Decorated P-C3N: A Porous 2D Framework for High-Capacity and Reversible Hydrogen Storage
von: Laranjeira, Jose A. S., et al.
Veröffentlicht: (2025)

HOP-graphene: A high-capacity anode for Li/Na-ion batteries unveiled by first-principles calculations
von: Martins, Nicolas F., et al.
Veröffentlicht: (2025)

Propylenidene: A Novel Metallic Carbon Monolayer with Unconventional Ring Topology
von: Laranjeira, Jose A. S., et al.
Veröffentlicht: (2025)

Goldene monolayer as a highly effective catalyst for polysulfide anchoring and conversion: A theoretical study
von: Martins, Nicolas F., et al.
Veröffentlicht: (2026)

First-Principles and Machine Learning Insights into the Design of DOTT-Carbon and its Lithium-Ion Storage Capacity
von: Lima, Kleuton. A. L., et al.
Veröffentlicht: (2025)

Phase-Dependent Excitonic Light Harvesting and Photovoltaic Limits in Monolayer Y2TeO2 MOenes
von: Huacarpuma, Bill D. A., et al.
Veröffentlicht: (2026)

Anthraphenylenes: Porous 2D Carbon Monolayers with Biphenyl-Anthracene Frameworks and Type-II Dirac line nodes
von: Lima, K. A. L., et al.
Veröffentlicht: (2025)

OLi3-decorated Irida-graphene for High-capacity Hydrogen Storage: A First-principles Study
von: Laranjeira, Jose A. S., et al.
Veröffentlicht: (2025)

Novel 3D Pentagraphene Allotropes: Stability, Electronic, Mechanical, and Optical Properties
von: Félix, I. M., et al.
Veröffentlicht: (2025)

A Concise Review of Recently Synthesized 2D Carbon Allotropes: Amorphous Carbon, Graphynes, Biphenylene and Fullerene Networks
von: Paupitz, Ricardo, et al.
Veröffentlicht: (2025)

Kagome Topology in Two-Dimensional Noble-Metal Monolayers
von: Bastos, Carlos M. O., et al.
Veröffentlicht: (2025)

Theoretical Characterization of Germanene Doped with Main Group Elements
von: Pablo A. Denis, et al.
Veröffentlicht: (2024)

Endohedral Derivatives of the Recently Synthesized Two-Dimensional Fullerene Networks: Electronic and Optical Insights from First-Principles Calculations
von: Junior, Marcelo L. Pereira, et al.
Veröffentlicht: (2026)

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope
von: Lima, K. A. L., et al.
Veröffentlicht: (2024)

Structural and Electronic Properties of Amorphous Silicon and Germanium Monolayers and Nanotubes: A DFT Investigation
von: Tromer, Raphael M., et al.
Veröffentlicht: (2024)

Exploring Novel 2D Analogues of Goldene: Electronic, Mechanical, and Optical Properties of Silverene and Copperene
von: Santos, Emanuel J. A. dos, et al.
Veröffentlicht: (2025)

Hexa-Graphyne: A Transparent and Semimetallic 2D Carbon Allotrope with Distinct Optical Properties
von: de Lima, Jhionathan, et al.
Veröffentlicht: (2025)

On the mechanical, thermoelectric, and excitonic properties of Tetragraphene monolayer
von: Tromer, Raphael M., et al.
Veröffentlicht: (2024)

Enhanced Elastocaloric Effects in γ-graphyne
von: Kanegae, Guilherme B., et al.
Veröffentlicht: (2024)

Effect of Tube Radius on the Adsorption of Chlorothalonil on Single-Walled Carbon and Boron Nitride Nanotube Surfaces: A Theoretical Study for Environmental Remediation
von: Ferreira, Francisco Gleidson de S., et al.
Veröffentlicht: (2025)

Exploring the Electronic and Mechanical Properties of the Recently Synthesized Nitrogen-Doped Monolayer Amorphous Carbon
von: Santos, E. J. A. dos, et al.
Veröffentlicht: (2024)

Hopping-Mediated Charge Transport in Graphene Beyond the Ballistic Regime
von: Pereira, J. P. Dadario, et al.
Veröffentlicht: (2026)

Migração makonde, produção de esculturas e mercado de arte no Tanganyika: a questão do estilo Shetani (1950-60)
von: Lia Dias Laranjeira
Veröffentlicht: (2017)

Os Estados Tônicos como Fundamento dos Estados Corporais em Diálogo com um Processo Criativo em Dança
von: Carolina Dias Laranjeira
Veröffentlicht: (2015)

On Surface Synthesis of Sp‐Hybridized Carbon Allotropes
von: Yuan Guo, et al.
Veröffentlicht: (2025)

Cyclo-Graphyne: A Highly Porous and Semimetallic 2D Carbon Allotrope with Dirac Cones
von: de Lima, Jhionathan, et al.
Veröffentlicht: (2025)

First Principles Investigations on the Carbon‐Related Defects in Silicon
von: Zhongyan Ouyang, et al.
Veröffentlicht: (2024)