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Theoretical and Computational Chemistry

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Novel ultra-hard hexacarbon allotropes from first principles

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 05 January 2022

204

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Materials Chemistry

Working Paper

First principles search for novel ultrahard high-density carbon allotropes: hexagonal C6, C9 and C12

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 20 February 2023

157

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Physical Chemistry

Working Paper

Biphenylene Sheet: A Nonbenzenoid Carbon Allotrope

Qitang Fan, Linghao Yan, Matthias W Tripp, Ondrej Krejci, Stavrina Dimosthenous, Stefan R. Kachel, Mengyi Chen, Adam S. Foster, Ulrich Koert, Peter Liljeroth, Michael Gottfried

Version 1 posted 21 December 2020

1,223

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Materials Chemistry

Working Paper

Errors in characterization and modeling undermine the report of the synthesis of γ-graphyne via alkyne metathesis

William Blake Martin, Robert Warburton, Shane M. Parker, Valentin Rodionov

Version 3 posted 18 July 2024

618

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Materials Chemistry

Working Paper

New ultrahard tetragonal C9 and C12 allotropes with edge- and corner-sharing C4 tetrahedra and diamond-like properties

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 23 May 2023

126

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Materials Chemistry

Working Paper

Crystal chemistry and first principles devising of C4 as the simplest dense carbon allotrope

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 25 May 2022

175

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Materials Chemistry

Working Paper

Replication of Mechanochemical Syntheses of γ-Graphyne from Calcium Carbide Fails to Produce the Claimed Product

Ezra Kone, Sarah Nasri, Grace Parker, Victor Desyatkin, William Martin, John Trant, Valentin Rodionov

Version 1 posted 09 September 2024

542

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Organic Chemistry

Working Paper

The odd-number cyclo[13]carbon and its dimer cyclo[26]carbon

Florian Albrecht, Igor Rončević, Yueze Gao, Fabian Paschke, Alberto Baiardi, Ivano Tavernelli, Shantanu Mishra, Harry L. Anderson, Leo Gross

Version 2 posted 19 January 2024

1,332

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Materials Chemistry

Working Paper

Novel superhard tetragonal hybrid sp3/sp2 carbon allotropes Cx (x = 5, 6, 7): Crystal chemistry and ab initio studies

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 29 April 2024

87

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Materials Chemistry

Working Paper

Edge Functionalization of Bulk γ-Graphyne Facilitates Mechanical Exfoliation and Modulates the Mode of Sheet Stacking

Claire Bolding, Tejaswini Haraniya, Grace Parker, William Martin, Victor Desyatkin, Logan Heck, Konstantin Bukhryakov, Valentin Rodionov

Version 1 posted 09 February 2024

161

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Refine Search

10 results in Carbon allotropes in Keywords: Carbon allotropes

Novel ultra-hard hexacarbon allotropes from first principles

First principles search for novel ultrahard high-density carbon allotropes: hexagonal C6, C9 and C12

Biphenylene Sheet: A Nonbenzenoid Carbon Allotrope

Errors in characterization and modeling undermine the report of the synthesis of γ-graphyne via alkyne metathesis

New ultrahard tetragonal C9 and C12 allotropes with edge- and corner-sharing C4 tetrahedra and diamond-like properties

Crystal chemistry and first principles devising of C4 as the simplest dense carbon allotrope

Replication of Mechanochemical Syntheses of γ-Graphyne from Calcium Carbide Fails to Produce the Claimed Product

The odd-number cyclo[13]carbon and its dimer cyclo[26]carbon

Novel superhard tetragonal hybrid sp3/sp2 carbon allotropes Cx (x = 5, 6, 7): Crystal chemistry and ab initio studies

Edge Functionalization of Bulk γ-Graphyne Facilitates Mechanical Exfoliation and Modulates the Mode of Sheet Stacking

10 results in Keywords: Carbon allotropes