KFU. Card publication. Structural Stability of Clean, Passivated, and Partially Dehydrogenated Cuboid and Octahedral Nanodiamonds up to 2 Nanometers in Size

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STRUCTURAL STABILITY OF CLEAN, PASSIVATED, AND PARTIALLY DEHYDROGENATED CUBOID AND OCTAHEDRAL NANODIAMONDS UP TO 2 NANOMETERS IN SIZE

Form of presentation

Articles in international journals and collections

Year of publication

2010

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Authors, employees of KFU

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

Full metadata record

Field DC	Value	Language
dc.contributor.author	Agisheva Diana Ayratovna	ru_RU
dc.contributor.author	Akberova Natalya Ivanovna	ru_RU
dc.contributor.author	Izotova Ekaterina Dmitrievna	ru_RU
dc.contributor.author	Tarasov Denis Stanislavovich	ru_RU
dc.date.accessioned	2010-01-01T00:00:00Z	ru_RU
dc.date.available	2010-01-01T00:00:00Z	ru_RU
dc.date.issued	2010	ru_RU
dc.identifier.citation	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.	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/eng/?p_id=23796&p_lang=2	ru_RU
dc.description.abstract	Journal of Computational and Theoretical Nanoscience	ru_RU
dc.description.abstract	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	ru_RU
dc.language.iso	ru	ru_RU
dc.subject		ru_RU
dc.title	Structural Stability of Clean, Passivated, and Partially Dehydrogenated Cuboid and Octahedral Nanodiamonds up to 2 Nanometers in Size	ru_RU
dc.type	Articles in international journals and collections	ru_RU