КФУ. Карточка публикации. 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

Форма представления

Статьи в зарубежных журналах и сборниках

Год публикации

2010

Язык

английский

Авторы, сотрудники КФУ

Акберова Наталья Ивановна, автор

Алишева Диана Айратовна, автор

Изотова Екатерина Дмитриевна, автор

Тарасов Денис Станиславович, автор

Библиографическое описание на языке оригинала

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.

Аннотация

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

Ключевые слова

ABSTRACTION; CARBON; DIAMOND; DMS; GERMANIUM; HYDROGEN; MECHANOSYNTHESIS; NANOTECHNOLOGY; PATHOLOGY; POSITIONAL CONTROL; REACTION SEQUENCE; TOOLTIP; TRAJECTORY

Название журнала

Journal of Computational and Theoretical Nanoscience

URL

http://dx.doi.org/10.1166/jctn.2010.1365

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https://repository.kpfu.ru/?p_id=23796

Полная запись метаданных

Поле DC	Значение	Язык
dc.contributor.author	Акберова Наталья Ивановна	ru_RU
dc.contributor.author	Алишева Диана Айратовна	ru_RU
dc.contributor.author	Изотова Екатерина Дмитриевна	ru_RU
dc.contributor.author	Тарасов Денис Станиславович	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/?p_id=23796	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	Статьи в зарубежных журналах и сборниках	ru_RU