Inorganic double-helix structures of unusually simple lithium-phosphorus species

Theoretical evidence: The existence of inorganic double-helix structures at the atomic level is theoretically predicted. An unbiased quantum-chemical search for the global minimum structures of Li xP x (x=5-9) species is performed. For the Li 7P 7-Li 9P 9 stoichiometries the global minimum structure has a peculiar double-helix form. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Авторы
Ivanov A.S. 1 , Morris A.J.2 , Bozhenko K.V. 3 , Pickard C.J.2 , Boldyrev A.I.1
Редакторы
-
Издательство
-
Номер выпуска
33
Язык
Английский
Страницы
8330-8333
Статус
Опубликовано
Подразделение
-
Номер
-
Том
51
Год
2012
Организации
  • 1 Department of Chemistry and Biochemistry, Utah State University, Logan, UT 84322, United States
  • 2 Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom
  • 3 Department of Physical and Colloidal Chemistry, Peoples' Friendship University of Russia, 6 Miklukho-Maklaya St., Moscow 117198, Russian Federation
Ключевые слова
ab initio calculations; clusters; helical structures; lithium; phosphorus
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/2278/