The art of designing carbon allotropes

RS Zhang, JW Jiang - Frontiers of Physics, 2019 - Springer
Stimulated by the success of graphene and diamond, a variety of carbon allotropes have
been discovered in recent years in either two-dimensional or three-dimensional …

T-carbon: Experiments, properties, potential applications and derivatives

XW Yi, Z Zhang, ZW Liao, XJ Dong, JY You, G Su - Nano Today, 2022 - Elsevier
T-carbon is a novel carbon allotrope with many appealing properties. Since the proposal of
T-carbon, there has been a lot of intensive studies devoted to its physical, chemical, optical …

Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids

T Feng, L Lindsay, X Ruan - Physical Review B, 2017 - APS
For decades, the three-phonon scattering process has been considered to govern thermal
transport in solids, while the role of higher-order four-phonon scattering has been …

First-principles calculations of the ultralow thermal conductivity in two-dimensional group-IV selenides

PF Liu, T Bo, J Xu, W Yin, J Zhang, F Wang, O Eriksson… - Physical Review B, 2018 - APS
Through first-principles calculations, we report on the phonon-limited transport properties of
two-dimensional (2D) hexagonal MSe (M= Ge, Sn, and Pb) compounds, which can be seen …

Strong four-phonon effects and anomalous thermal transport behavior in the monolayer group-IVB transition metal dichalcogenides

Z Tang, X Wang, J Li, C He, M Chen, C Tang, T Ouyang - Physical Review B, 2023 - APS
The discovery of strong four-phonon (4ph) interactions in boron arsenide has spurred
significant investigations into the influence of higher-order phonon anharmonic scattering on …

Anomalously temperature-dependent thermal conductivity of monolayer GaN with large deviations from the traditional law

G Qin, Z Qin, H Wang, M Hu - Physical Review B, 2017 - APS
Efficient heat dissipation, which is featured by high thermal conductivity, is one of the crucial
issues for the reliability and stability of nanodevices. However, due to the generally fast 1/T …

High-throughput computation of novel ternary B–C–N structures and carbon allotropes with electronic-level insights into superhard materials from machine learning

M Al-Fahdi, T Ouyang, M Hu - Journal of Materials Chemistry A, 2021 - pubs.rsc.org
Discovering new materials with desired properties has been a dominant and crucial topic of
interest in the field of materials science in the past few decades. In this work, novel carbon …

Low lattice thermal conductivity of two-dimensional monolayers of BxN (x= 2, 3, and 5) induced by complex bonding networks: A comparative study with h-BN

Z Tang, X Wang, J Li, C He, M Chen, X Li… - Applied Physics …, 2023 - pubs.aip.org
It is well known that different bonding networks could bring a wide variety of physical
properties to the materials although they hold analogous element and structure features. In …

Machine learning accelerated discovery of promising thermal energy storage materials with high heat capacity

J Ojih, U Onyekpe, A Rodriguez, J Hu… - … applied materials & …, 2022 - ACS Publications
Thermal energy storage offers numerous benefits by reducing energy consumption and
promoting the use of renewable energy sources. Thermal energy storage materials have …

High-throughput computation of new carbon allotropes with diverse hybridization and ultrahigh hardness

M Al-Fahdi, A Rodriguez, T Ouyang, M Hu - Crystals, 2021 - mdpi.com
The discovery of new carbon allotropes with different building blocks and crystal symmetries
has long been of great interest to broad materials science fields. Herein, we report several …