High-Throughput Screening of Two-Dimensional Planar sp2 Carbon Space Associated with a Labeled Quotient Graph

X Shi, S Li, J Li, T Ouyang, C Zhang… - The Journal of …, 2021 - ACS Publications
The configurational space of two-dimensional planar sp2 carbon has been systematically
scanned by a random strategy combined with group and graph theory, and 1114 new …

Newly discovered graphyne allotrope with rare and robust Dirac node loop

P Yan, T Ouyang, C He, J Li, C Zhang, C Tang, J Zhong - Nanoscale, 2021 - pubs.rsc.org
Two-dimensional (2D) carbon allotropes with topologically nontrivial states are drawing
considerable attention owing to their unique physical properties and great potential …

Nodal-loop half metallicity in a two-dimensional Fe 4 N 2 pentagon crystal with room-temperature ferromagnetism

K Zhang, M Chen, D Wang, H Lv, X Wu, J Yang - Nanoscale, 2021 - pubs.rsc.org
Two-dimensional (2D) materials with fully spin-polarized nodal-loop band crossing are a
class of topological magnetic materials, holding promise for high-speed low-dissipation …

New nanoporous graphyne monolayer as nodal line semimetal: Double Dirac points with an ultrahigh Fermi velocity

L Li, X Kong, FM Peeters - Carbon, 2019 - Elsevier
Abstract Two-dimensional (2D) carbon materials play an important role in nanomaterials.
We propose a new carbon monolayer, named hexagonal-4, 4, 4-graphyne (H 4, 4, 4 …

Glide mirror plane protected nodal-loop in an anisotropic half-metallic MnNF monolayer

Y Hu, SS Li, WX Ji, CW Zhang, M Ding… - The journal of …, 2019 - ACS Publications
Two-dimensional (2D) nodal-loop (NL) semimetals have attracted tremendous attention for
their abundant physics and potential device applications, whereas the realization of gapless …

Systematic Enumeration of Low‐Energy Graphyne Allotropes Based on a Coordination‐Constrained Searching Strategy

T Ouyang, C Cui, X Shi, C He, J Li… - physica status solidi …, 2020 - Wiley Online Library
Based on a coordination‐constrained searching strategy, 48 new graphyne allotropes are
discovered and systematically optimized by first‐principles calculations. Among these newly …

Semimetallic 2D alkynyl carbon materials with distorted type I Dirac cones

W Zhang, C Chai, Q Fan, Y Song, Y Liu… - The Journal of …, 2021 - ACS Publications
Motivated by progress in the mechanochemical synthesis of alkynyl carbon materials, we
propose two-dimensional carbon materials (QC-graphyne, P-graphyne, and D-graphyne) …

Transition in electronic and magnetic properties of transition metal embedded semimetallic B-graphyne

HB Li, ZG Shao, CL Wang, L Yang - Physical Chemistry Chemical …, 2023 - pubs.rsc.org
Spintronics is extremely important in the future development of information technology.
Notably, two-dimensional carbon materials with atomically thick and p-electron systems …

A nodal flexible-surface three-dimensional carbon network with potential applications as a lithium-ion battery anode material

NVR Nulakani, A Bandyopadhyay… - Journal of Materials …, 2024 - pubs.rsc.org
Topological semimetals (TSMs) with nodal flexible-surfaces are currently garnering
paramount importance due to their exceptional electronic properties. However, nodal flat …

Ab initio design of a new family of 2D materials: transition metal carbon nitrogen compounds (MCNs)

J Geng, K An, IN Chan, H Ai, KH Lo, KW Ng… - Journal of Materials …, 2021 - pubs.rsc.org
Two-dimensional (2D) materials with unique structures and diverse applications have
attracted extensive interest. Here, we survey a new series of two-dimensional materials …