Kazan (Volga region) Federal University, KFU
KAZAN
FEDERAL UNIVERSITY
 
STRUCTURAL STABILITY OF CLEAN, PASSIVATED, AND PARTIALLY DEHYDROGENATED CUBOID AND OCTAHEDRAL NANODIAMONDS UP TO 2 NANOMETERS IN SIZE
Form of presentationArticles in international journals and collections
Year of publication2010
Языканглийский
  • Agisheva Diana Ayratovna, author
  • Akberova Natalya Ivanovna, author
  • Izotova Ekaterina Dmitrievna, author
  • Tarasov Denis Stanislavovich, author
  • Bibliographic description in the original language Tarasov Denis, Izotova Ekaterina, Alisheva Diana, Akberova Natalia, Robert A. Freitas Jr., "Structural Stability of Clean, Passivated, and Partially Dehydrogenated Cuboid and Octahedral Nanodiamonds up to 2 Nanometers in Size," J. Comput. Theor. Nanosci. 12.- 2010. V. 7.- N. 2.- P. 325-353.
    Annotation The use of precisely applied mechanical forces to induce site-specific chemical transformations is called positional mechanosynthesis, and diamond is an important early target for achieving mechanosynthesis experimentally. A key step in diamond mechanosynthesis (DMS) employs an ethynyl-based hydrogen abstraction tool (HAbst) for the site-specific mechanical dehydrogenation of H-passivated diamond surfaces, creating an isolated radical site that can accept adatoms via radical?radical coupling in a subsequent positionally controlled reaction step. The abstraction tool, once used (HAbstH), must be recharged by removing the abstracted hydrogen atom from the tooltip, before the tool can be used again. This paper presents the first theoretical study of DMS tool-workpiece operating envelopes and optimal tooltip trajectories for any positionally controlled reaction sequence?and more specifically, one that may be used to recharge a spent hydrogen abstraction tool?during scanning-probe based ult
    Keywords ABSTRACTION; CARBON; DIAMOND; DMS; GERMANIUM; HYDROGEN; MECHANOSYNTHESIS; NANOTECHNOLOGY; PATHOLOGY; POSITIONAL CONTROL; REACTION SEQUENCE; TOOLTIP; TRAJECTORY
    The name of the journal Journal of Computational and Theoretical Nanoscience
    URL http://dx.doi.org/10.1166/jctn.2010.1365
    Please use this ID to quote from or refer to the card https://repository.kpfu.ru/eng/?p_id=23796&p_lang=2

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