[HTML][HTML] Broad family of carbon nanoallotropes: classification, chemistry, and applications of fullerenes, carbon dots, nanotubes, graphene, nanodiamonds, and …

V Georgakilas, JA Perman, J Tucek, R Zboril - Chemical reviews, 2015 - ACS Publications
The unique ability of carbon atoms to participate in robust covalent bonds with other carbon
atoms in diverse hybridization states (sp, sp 2, sp 3) or with nonmetallic elements enables …

Removal of dye molecules from aqueous solution by carbon nanotubes and carbon nanotube functional groups: critical review

M Rajabi, K Mahanpoor, O Moradi - Rsc Advances, 2017 - pubs.rsc.org
For the removal and separation of wastewater pollutants, one widely used technique is
adsorption. Different materials have been used as adsorbents. Among several adsorbents …

Complex low energy tetrahedral polymorphs of group IV elements from first principles

C He, X Shi, SJ Clark, J Li, CJ Pickard, T Ouyang… - Physical Review Letters, 2018 - APS
The energy landscape of carbon is exceedingly complex, hosting diverse and important
metastable phases, including diamond, fullerenes, nanotubes, and graphene. Searching for …

Strain effect on the electronic and optical properties of 2D Tetrahexcarbon: a DFT-based study

DM Hoat, S Amirian, H Alborznia, A Laref… - Indian Journal of …, 2021 - Springer
A new two-dimensional (2D) carbon allotrope, namely Tetrahexcarbon (TH-carbon)
semiconductor monolayer with a direct band gap resides in the visible region of the …

Crystal structure of graphite under room-temperature compression and decompression

Y Wang, JE Panzik, B Kiefer, KKM Lee - Scientific reports, 2012 - nature.com
Recently, sophisticated theoretical computational studies have proposed several new crystal
structures of carbon (eg, bct-C4, H-, M-, R-, S-, W-and Z-carbon). However, until now, there …

Synthesis of atomically thin hexagonal diamond with compression

F Ke, L Zhang, Y Chen, K Yin, C Wang, YK Tzeng… - Nano …, 2020 - ACS Publications
Atomically thin diamond, also called diamane, is a two-dimensional carbon allotrope and
has attracted considerable scientific interest because of its potential physical properties …

Stochastic generation of complex crystal structures combining group and graph theory with application to carbon

X Shi, C He, CJ Pickard, C Tang, J Zhong - Physical Review B, 2018 - APS
A method is introduced to stochastically generate crystal structures with defined structural
characteristics. Reasonable quotient graphs for symmetric crystals are constructed using a …

[BOOK][B] Carbon allotropes: metal-complex chemistry, properties and applications

BI Kharisov, OV Kharissova - 2019 - books.google.com
This book provides a detailed description of metal-complex functionalized carbon allotrope
forms, including classic (such as graphite), rare (such as M-or T-carbon), and nanoforms …

Large bandgap of pressurized trilayer graphene

F Ke, Y Chen, K Yin, J Yan, H Zhang… - Proceedings of the …, 2019 - National Acad Sciences
Graphene-based nanodevices have been developed rapidly and are now considered a
strong contender for postsilicon electronics. However, one challenge facing graphene …

[HTML][HTML] Computational discovery of hard and superhard materials

AG Kvashnin, Z Allahyari, AR Oganov - Journal of Applied Physics, 2019 - pubs.aip.org
Computational materials discovery is a booming field of science, which helps in predicting
new unexpected materials with optimal combinations of various physical properties. Going …