Pentaheptite diamond: a new carbon allotrope
Related Experiment Video
Updated: Oct 5, 2025

Preparation and Use of Carbonyl-decorated Carbenes in the Activation of White Phosphorus
Published on: October 3, 2014
Chuang Zhang1, Xigui Yang1, Ruoyun Lv1
1Henan Key Laboratory of Diamond Optoelectronic Materials and Devices, Key Laboratory of Material Physics, Ministry of Education, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou 450052, People's Republic of China.
Abstract:
The search forsp3-hybridized carbon allotropes other than diamond has attracted extensive interest because of their fascinating properties. In this paper, an orthorhombic carbon phase insp3bonding, named pentaheptite diamond, by combining the particle swarm optimization method with first-principles calculations has been predicted. The phonon spectra, total energy and elastic constants calculations of the pentaheptite diamond confirm its dynamical, thermal and mechanical stability at zero pressure, respectively. It possesses a high bulk modulus of 385 GPa and Vickers hardness of 72.6 GPa, comparable to diamond. Electronic band structure calculations show that the pentaheptite diamond has a direct band gap of 4.18 eV.
More Related Videos
09:45Accessing Valuable Ligand Supports for Transition Metals: A Modified, Intermediate Scale Preparation of 1,2,3,4,5-Pentamethylcyclopentadiene
Published on: March 20, 2017
08:40Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
Published on: December 6, 2021
Related Concept Videos
Carbon Skeletons
Network Covalent Solids
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...
Aromatic Hydrocarbon Cations: Structural Overview
Removing one hydrogen from the intervening CH2 group...
Hybridization of Atomic Orbitals II
¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)
Aromatic Hydrocarbon Anions: Structural Overview
Due to the absence of continuous...