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Output details

13 - Electrical and Electronic Engineering, Metallurgy and Materials

Imperial College London : B - Metallurgy and Materials

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Output 43 of 140 in the submission

Article title

Factors influencing the distribution of charge in polar nanocrystals

Type

D - Journal article

DOI

10.1103/PhysRevB.83.241402

Title of journal

Physical Review B

Article number

ARTN 241402

Volume number

Issue number

First page of article

ISSN of journal

1098-0121

Year of publication

2011

URL

Number of additional authors

Additional information

Despite many experiments, no consensus could be reached on the existence, origins, magnitudes, or directions of dipole moments in polar nanostructures. We explained why (they are determined by surface chemistry) and provided insight into how physical properties can be related to synthesis conditions. This work demonstrated the power of the ONETEP electronic structure code (subsequently supported by a £1M platform grant EP/J015059/1) for guiding experiment. It led to further work (PRB, 115404 (2012)), and to multiple invitations to speak at international events, such as TRNM 2010, Levi, Finland (Tangney), CECAM workshop 7/2012, Lausanne (Tangney)and CMCS2013, Hong Kong (Haynes).

Interdisciplinary

Yes

Cross-referral requested

Research group

None

Proposed double-weighted

Double-weighted statement

Reserve for a double-weighted output

Non-English

English abstract