Nature of the Chemical Bond of Hydrogen and Oxygen Atoms with Pt(100) Surface: Quantum Chemical Calculation and Disappearance Potential Spectra Научная публикация
| Журнал |
Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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| Вых. Данные | Год: 2006, Том: 47, Номер: 5, Страницы: 808-812 Страниц : 5 DOI: 10.1007/s10947-006-0395-4 | ||
| Ключевые слова | Chemisorption, Disappearance potential spectroscopy, Hydrogen, Oxygen, Platinum | ||
| Авторы |
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| Организации |
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Информация о финансировании (1)
| 1 | Российский фонд фундаментальных исследований | 04-03-33191 |
Реферат:
Electronic structures of clean, hydrogen covered, and oxygen covered Pt(100)-(1×1) surface have been calculated. Both absorbates form surface subzones localized below the metal conduction band but overlapping partially with. Furthermore, the local density of states (LDOS) reveals a peak of the resonant state on the absorbed atom which is narrower for hydrogen than for oxygen. The comparison of LDOS on absorbed and Pt atoms shows that subzone surface states are responsible for the covalent component of the chemical bond between absorbed and platinum atoms, while resonant states make the ionic contribution. The obtained LDOS were used to calculate disappearance potential spectra. Theoretical spectra are well consistent with experimental ones.
Библиографическая ссылка:
Tapilin V.M.
, Tsybiktarov V.D.
, Cholach A.R.
Nature of the Chemical Bond of Hydrogen and Oxygen Atoms with Pt(100) Surface: Quantum Chemical Calculation and Disappearance Potential Spectra
Journal of Structural Chemistry. 2006. V.47. N5. P.808-812. DOI: 10.1007/s10947-006-0395-4 WOS Scopus РИНЦ OpenAlex CAPlusCA
Nature of the Chemical Bond of Hydrogen and Oxygen Atoms with Pt(100) Surface: Quantum Chemical Calculation and Disappearance Potential Spectra
Journal of Structural Chemistry. 2006. V.47. N5. P.808-812. DOI: 10.1007/s10947-006-0395-4 WOS Scopus РИНЦ OpenAlex CAPlusCA
Оригинальная:
Тапилин В.М.
, Цыбиктаров В.Д.
, Чолач А.Р.
Природа химической связи водорода и кислорода с поверхностью Pt(100): квантовохимический расчет и спектры потенциалов исчезновения
Журнал структурной химии. 2006. Т.47. №5. С.822-826. РИНЦ RSCI
Природа химической связи водорода и кислорода с поверхностью Pt(100): квантовохимический расчет и спектры потенциалов исчезновения
Журнал структурной химии. 2006. Т.47. №5. С.822-826. РИНЦ RSCI
Даты:
| Поступила в редакцию: | 23 нояб. 2005 г. |
| Опубликована в печати: | 1 сент. 2006 г. |
Идентификаторы БД:
| ≡ Web of science: | WOS:000244407600002 |
| ≡ Scopus: | 2-s2.0-33847306072 |
| ≡ РИНЦ: | 13512746 |
| ≡ OpenAlex: | W2027359093 |
| ≡ Chemical Abstracts: | 2007:180430 |
| ≡ Chemical Abstracts (print): | 148:18495 |