Effects of bimetallic doping on small cyclic and tubular boron clusters: B7M2 and B14M2 structures with M = Fe, Co1. Issue 26 (14th July 2015)
- Record Type:
- Journal Article
- Title:
- Effects of bimetallic doping on small cyclic and tubular boron clusters: B7M2 and B14M2 structures with M = Fe, Co1. Issue 26 (14th July 2015)
- Main Title:
- Effects of bimetallic doping on small cyclic and tubular boron clusters: B7M2 and B14M2 structures with M = Fe, Co1
- Authors:
- Pham, Hung Tan
Nguyen, Minh Tho - Abstract:
- <abstract abstract-type="toc"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <graphic position="anchor" id="ga" xlink:href="ark:/27927/pgj1c6nw7bt" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" />Using density functional theory with the TPSSh functional and the 6-311+G(d) basis set, we extensively searched for the global minima of two metallic atoms doped boron clusters B<sub>6</sub>M<sub>2</sub>, B<sub>7</sub>M<sub>2</sub>, B<sub>12</sub>M<sub>2</sub> and B<sub>14</sub>M<sub>2</sub> with transition metal element M being Co and Fe.</p> </abstract>
- Is Part Of:
- Physical chemistry chemical physics. Volume 17:Issue 26(2015)
- Journal:
- Physical chemistry chemical physics
- Issue:
- Volume 17:Issue 26(2015)
- Issue Display:
- Volume 17, Issue 26 (2015)
- Year:
- 2015
- Volume:
- 17
- Issue:
- 26
- Issue Sort Value:
- 2015-0017-0026-0000
- Page Start:
- 17335
- Page End:
- 17345
- Publication Date:
- 2015-07-14
- Subjects:
- Chemistry, Physical and theoretical -- Periodicals
541.3 - Journal URLs:
- http://pubs.rsc.org/en/journals/journalissues/cp#!issueid=cp016040&type=current&issnprint=1463-9076 ↗
http://www.rsc.org/ ↗ - DOI:
- 10.1039/c5cp01650a ↗
- Languages:
- English
- ISSNs:
- 1463-9076
- Deposit Type:
- Legaldeposit
- View Content:
- Available online (eLD content is only available in our Reading Rooms) ↗
- Physical Locations:
- British Library DSC - 6475.306000
British Library DSC - BLDSS-3PM
British Library STI - ELD Digital store - Ingest File:
- 3200.xml