Nanodiamonds: Their Structure and Optical Properties

Raty, J -Y; van Buuren, T; Galli, G

doi:10.1016/j.jelechem.2004.10.032

Nanodiamonds: Their Structure and Optical Properties

Conference · Tue May 14 04:00:00 EDT 2002

DOI:https://doi.org/10.1016/j.jelechem.2004.10.032· OSTI ID:802842

Raty, J -Y ^[1]; van Buuren, T; Galli, G

LLNL

Nanometer sized diamond is a constituent of diverse systems ranging from interstellar dusts and meteorites [1] to carbonaceous residues of detonations [2] and diamond-like films [3-5]. Many of the properties of bulk diamond have been well understood for decades, those of nanodiamond are mostly unexplored. We present a combined theoretical and experimental study showing that diamond has unique properties not only as a bulk material but also at the nanoscale, where size reduction and surface reconstruction effects are fundamentally different from those found, e.g. in Si and Ge.

View Conference

Research Organization:: Lawrence Livermore National Lab., CA (US)

Sponsoring Organization:: USDOE Office of Defense Programs (DP) (US)

DOE Contract Number:: W-7405-ENG-48

OSTI ID:: 802842

Report Number(s):: UCRL-JC-148729

Country of Publication:: United States

Language:: English

References (15)

First-principles computation of material properties: the ABINIT software project Gonze, X.; Beuken, J. -M.; Caracas, R. Computational Materials Science, Vol. 25, Issue 3 https://doi.org/10.1016/S0927-0256(02)00325-7	journal	November 2002
Unified Approach for Molecular Dynamics and Density-Functional Theory Car, R.; Parrinello, M. Physical Review Letters, Vol. 55, Issue 22 https://doi.org/10.1103/PhysRevLett.55.2471	journal	November 1985
Quantum Confinement and Fullerenelike Surface Reconstructions in Nanodiamonds Raty, Jean-Yves; Galli, Giulia; Bostedt, C. Physical Review Letters, Vol. 90, Issue 3 https://doi.org/10.1103/PhysRevLett.90.037401	journal	January 2003
Strained semiconductor clusters in sodalite Buda, F.; Fasolino, A. Physical Review B, Vol. 60, Issue 8 https://doi.org/10.1103/PhysRevB.60.6131	journal	August 1999
Diamond-Ceramic Coating of the Future Spear, Karl E. Journal of the American Ceramic Society, Vol. 72, Issue 2 https://doi.org/10.1111/j.1151-2916.1989.tb06099.x	journal	February 1989
Interstellar diamonds in meteorites Lewis, Roy S.; Ming, Tang; Wacker, John F. Nature, Vol. 326, Issue 6109 https://doi.org/10.1038/326160a0	journal	March 1987
Properties, detectability and origin of interstellar diamonds in meteorites Lewis, Roy S.; Anders, Edward; Draine, Bruce T. Nature, Vol. 339, Issue 6220 https://doi.org/10.1038/339117a0	journal	May 1989
Ultrananocrystalline Diamond in the Laboratory and the Cosmos Gruen, Dieter M. MRS Bulletin, Vol. 26, Issue 10 https://doi.org/10.1557/mrs2001.204	journal	October 2001
Diamonds in detonation soot Greiner, N. Roy; Phillips, D. S.; Johnson, J. D. Nature, Vol. 333, Issue 6172 https://doi.org/10.1038/333440a0	journal	June 1988
Quantum Confinement Effect in Diamond Nanocrystals Studied by X-Ray-Absorption Spectroscopy Chang, Y. K.; Hsieh, H. H.; Pong, W. F. Physical Review Letters, Vol. 82, Issue 26 https://doi.org/10.1103/PhysRevLett.82.5377	journal	June 1999
Ultradispersity of diamond at the nanoscale Raty, Jean-Yves; Galli, Giulia Nature Materials, Vol. 2, Issue 12 https://doi.org/10.1038/nmat1018	journal	November 2003
Ab Initio Absorption Spectra and Optical Gaps in Nanocrystalline Silicon Vasiliev, Igor; Öğüt, Serdar; Chelikowsky, James R. Physical Review Letters, Vol. 86, Issue 9 https://doi.org/10.1103/PhysRevLett.86.1813	journal	February 2001
Environment-dependent tight-binding potential model Tang, M. S.; Wang, C. Z.; Chan, C. T. Physical Review B, Vol. 53, Issue 3 https://doi.org/10.1103/PhysRevB.53.979	journal	January 1996
A microscopic model for surface-induced diamond-to-graphite transitions De Vita, Alessandro; Galli, Giulia; Canning, Andrew Nature, Vol. 379, Issue 6565 https://doi.org/10.1038/379523a0	journal	February 1996
Structure and stability of germanium nanoparticles Pizzagalli, Laurent; Galli, Giulia; Klepeis, John E. Physical Review B, Vol. 63, Issue 16 https://doi.org/10.1103/PhysRevB.63.165324	journal	April 2001

Similar Records

First Principles Study of Nanodiamond Optical and Electronic Properties

Journal Article · Thu Oct 21 00:00:00 EDT 2004 · Computer Physics Communications · OSTI ID:950631

Structural and Electronic Properties of Isolated Nanodiamonds: A Theoretical Perspective

Conference · Thu Sep 09 00:00:00 EDT 2004 · OSTI ID:15014674

Overcoming Variability: A Reproducible Approach to SERS Detection of Nanodiamonds

Journal Article · Tue Apr 01 20:00:00 EDT 2025 · Journal of Physical Chemistry. C · OSTI ID:3002788

Related Subjects

36 MATERIALS SCIENCE
DIAMONDS
MICROSTRUCTURE
MINIATURIZATION
OPTICAL PROPERTIES
PARTICLE SIZE

Nanodiamonds: Their Structure and Optical Properties

Citation Formats

References (15)

Similar Records

Related Subjects