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Title: Facile diamond synthesis from lower diamondoids

Abstract

Carbon-based nanomaterials have exceptional properties that make them attractive for a variety of technological applications. Here, we report on the use of diamondoids (diamond-like, saturated hydrocarbons) as promising precursors for laser-induced high-pressure, high-temperature diamond synthesis. The lowest pressure and temperature $(P-T)$ conditions that yielded diamond were 12 GPa (at ~2000 K) and 900 K (at ~20 GPa), respectively. This represents a substantially reduced transformation barrier compared with diamond synthesis from conventional (hydro)carbon allotropes, owing to the similarities in the structure and full sp 3hybridization of diamondoids and bulk diamond. At 20 GPa, diamondoid-to-diamond conversion occurs rapidly within <19 μs. Molecular dynamics simulations indicate that once dehydrogenated, the remaining diamondoid carbon cages reconstruct themselves into diamond-like structures at high $P-T$. This study is the first successful mapping of the $P-T$ conditions and onset timing of the diamondoid-to-diamond conversion and elucidates the physical and chemical factors that facilitate diamond synthesis.

Authors:
ORCiD logo; ORCiD logo; ORCiD logo; ; ; ; ; ORCiD logo; ORCiD logo; ORCiD logo; ORCiD logo; ; ; ORCiD logo
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1574721
Grant/Contract Number:  
[AC02-76SF00515]
Resource Type:
Accepted Manuscript
Journal Name:
Science Advances
Additional Journal Information:
[ Journal Volume: 6; Journal Issue: 8]; Journal ID: ISSN 2375-2548
Publisher:
AAAS
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Park, Sulgiye, Abate, Iwnetim I., Liu, Jin, Wang, Chenxu, Dahl, Jeremy E. P., Carlson, Robert M. K., Yang, Liuxiang, Prakapenka, Vitali B., Greenberg, Eran, Devereaux, Thomas P., Jia, Chunjing, Ewing, Rodney C., Mao, Wendy L., and Lin, Yu. Facile diamond synthesis from lower diamondoids. United States: N. p., 2020. Web. doi:10.1126/sciadv.aay9405.
Park, Sulgiye, Abate, Iwnetim I., Liu, Jin, Wang, Chenxu, Dahl, Jeremy E. P., Carlson, Robert M. K., Yang, Liuxiang, Prakapenka, Vitali B., Greenberg, Eran, Devereaux, Thomas P., Jia, Chunjing, Ewing, Rodney C., Mao, Wendy L., & Lin, Yu. Facile diamond synthesis from lower diamondoids. United States. doi:10.1126/sciadv.aay9405.
Park, Sulgiye, Abate, Iwnetim I., Liu, Jin, Wang, Chenxu, Dahl, Jeremy E. P., Carlson, Robert M. K., Yang, Liuxiang, Prakapenka, Vitali B., Greenberg, Eran, Devereaux, Thomas P., Jia, Chunjing, Ewing, Rodney C., Mao, Wendy L., and Lin, Yu. Sat . "Facile diamond synthesis from lower diamondoids". United States. doi:10.1126/sciadv.aay9405. https://www.osti.gov/servlets/purl/1574721.
@article{osti_1574721,
title = {Facile diamond synthesis from lower diamondoids},
author = {Park, Sulgiye and Abate, Iwnetim I. and Liu, Jin and Wang, Chenxu and Dahl, Jeremy E. P. and Carlson, Robert M. K. and Yang, Liuxiang and Prakapenka, Vitali B. and Greenberg, Eran and Devereaux, Thomas P. and Jia, Chunjing and Ewing, Rodney C. and Mao, Wendy L. and Lin, Yu},
abstractNote = {Carbon-based nanomaterials have exceptional properties that make them attractive for a variety of technological applications. Here, we report on the use of diamondoids (diamond-like, saturated hydrocarbons) as promising precursors for laser-induced high-pressure, high-temperature diamond synthesis. The lowest pressure and temperature $(P-T)$ conditions that yielded diamond were 12 GPa (at ~2000 K) and 900 K (at ~20 GPa), respectively. This represents a substantially reduced transformation barrier compared with diamond synthesis from conventional (hydro)carbon allotropes, owing to the similarities in the structure and full sp3hybridization of diamondoids and bulk diamond. At 20 GPa, diamondoid-to-diamond conversion occurs rapidly within <19 μs. Molecular dynamics simulations indicate that once dehydrogenated, the remaining diamondoid carbon cages reconstruct themselves into diamond-like structures at high $P-T$. This study is the first successful mapping of the $P-T$ conditions and onset timing of the diamondoid-to-diamond conversion and elucidates the physical and chemical factors that facilitate diamond synthesis.},
doi = {10.1126/sciadv.aay9405},
journal = {Science Advances},
number = [8],
volume = [6],
place = {United States},
year = {2020},
month = {2}
}

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Works referenced in this record:

Selenium and tellurium: Elemental catalysts for conversion of graphite to diamond under high pressure and temperature
journal, December 2009

  • Lv, S. J.; Hong, S. M.; Yuan, C. S.
  • Applied Physics Letters, Vol. 95, Issue 24
  • DOI: 10.1063/1.3273855

Synthesis and characterization of a nanocrystalline diamond aerogel
journal, May 2011

  • Pauzauskie, P. J.; Crowhurst, J. C.; Worsley, M. A.
  • Proceedings of the National Academy of Sciences, Vol. 108, Issue 21, p. 8550-8553
  • DOI: 10.1073/pnas.1010600108

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Molecular Limits to the Quantum Confinement Model in Diamond Clusters
journal, September 2005


Projector augmented-wave method
journal, December 1994


Artificial Diamonds
journal, July 1880


High-pressure, high-temperature molecular doping of nanodiamond
journal, May 2019


Effect of carbon crystallinity on the nucleation and growth of diamond under high pressure and high temperature
journal, August 1998


Ab-initio simulations of materials using VASP: Density-functional theory and beyond
journal, October 2008

  • Hafner, Jürgen
  • Journal of Computational Chemistry, Vol. 29, Issue 13
  • DOI: 10.1002/jcc.21057

X-ray diffraction in the pulsed laser heated diamond anvil cell
journal, November 2010

  • Goncharov, Alexander F.; Prakapenka, Vitali B.; Struzhkin, Viktor V.
  • Review of Scientific Instruments, Vol. 81, Issue 11
  • DOI: 10.1063/1.3499358

Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Fundamentals, overtones, and combinations in the Raman spectrum of graphite
journal, October 1995


Advanced flat top laser heating system for high pressure research at GSECARS: application to the melting behavior of germanium
journal, September 2008


High-Pressure, High-Temperature Synthesis of Nanodiamond from Adamantane
journal, May 2019


Ultraviolet Raman spectroscopy characterizes chemical vapor deposition diamond film growth and oxidation
journal, June 1995

  • Bormett, Richard W.; Asher, Sanford A.; Witowski, Robert E.
  • Journal of Applied Physics, Vol. 77, Issue 11
  • DOI: 10.1063/1.359172

New trends in high-pressure synthesis of diamond
journal, August 1999


Observation of quantum confinement in the occupied states of diamond clusters
journal, November 2006


Vapor growth of diamond on diamond and other surfaces
journal, April 1981


Raman characteristics of hydrocarbon and hydrocarbon inclusions
journal, August 2007

  • Zhang, Nai; Tian, ZuoJi; Leng, YingYing
  • Science in China Series D: Earth Sciences, Vol. 50, Issue 8
  • DOI: 10.1007/s11430-007-0078-9

Quantum Confinement and Fullerenelike Surface Reconstructions in Nanodiamonds
journal, January 2003


Experimental measurement of the diamond nucleation landscape reveals classical and nonclassical features
journal, August 2018

  • Gebbie, Matthew A.; Ishiwata, Hitoshi; McQuade, Patrick J.
  • Proceedings of the National Academy of Sciences, Vol. 115, Issue 33
  • DOI: 10.1073/pnas.1803654115

Synthesis of Higher Diamondoids and Implications for Their Formation in Petroleum
journal, November 2010

  • Dahl, Jeremy E. P.; Moldowan, J. Michael; Wei, Zhibin
  • Angewandte Chemie International Edition, Vol. 49, Issue 51
  • DOI: 10.1002/anie.201004276

Double Resonant Raman Scattering in Graphite
journal, December 2000


Ultrahard polycrystalline diamond from graphite
journal, February 2003

  • Irifune, Tetsuo; Kurio, Ayako; Sakamoto, Shizue
  • Nature, Vol. 421, Issue 6923
  • DOI: 10.1038/421599b

Structure and Properties of Diamond
journal, May 1947


Raman spectroscopy of graphite
journal, September 2004

  • Reich, Stephanie; Thomsen, Christian
  • Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences, Vol. 362, Issue 1824
  • DOI: 10.1098/rsta.2004.1454

Photothermal effects during nanodiamond synthesis from a carbon aerogel in a laser-heated diamond anvil cell
journal, August 2018


Systematic classification and nomenclature of diamond hydrocarbons—I
journal, January 1978


Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions
journal, January 1986

  • Mao, H. K.; Xu, J.; Bell, P. M.
  • Journal of Geophysical Research, Vol. 91, Issue B5, p. 4673-4676
  • DOI: 10.1029/JB091iB05p04673

Vertical-Substrate MPCVD Epitaxial Nanodiamond Growth
journal, February 2017


Production of activated carbons from a washington lignite using phosphoric acid activation
journal, January 1996


High-Pressure Synthesis of Diamond from Organic Compounds.
journal, January 1992

  • Onodera, Akifumi; Suito, Kaichi; Morigami, Yasuhiro
  • Proceedings of the Japan Academy. Ser. B: Physical and Biological Sciences, Vol. 68, Issue 10
  • DOI: 10.2183/pjab.68.167

Raman spectroscopy of nanocrystalline diamond: An ab initio approach
journal, July 2006


The Behavior of Some Carbonaceous Materials at Very High Pressures and High Temperatures
journal, September 1965


Characterization of Diamond Thin Films by Core-Level Photoabsorption and UV Excitation Raman Spectroscopy
journal, January 1996