| Full text | |
| Author(s): |
Schleder, Gabriel R.
[1, 2]
;
Azevedo, Gustavo M.
[3, 4]
;
Nogueira, Icamira C.
[5]
;
Rebelo, Querem H. F.
[5, 6]
;
Bettini, Jefferson
[1]
;
Fazzio, Adalberto
[1, 2]
;
Leite, Edson R.
[7, 1]
Total Authors: 7
|
| Affiliation: | [1] Brazilian Nanotechnol Natl Lab LNNano CNPEM, BR-13083970 Campinas, SP - Brazil
[2] Fed Univ ABC UFABC, BR-09210580 Sao Paulo - Brazil
[3] Brazilian Synchrotron Light Lab LNLS CNPEM, BR-13083970 Campinas, SP - Brazil
[4] Fed Univ Rio Grande Sul UFRGS, BR-90040060 Porto Alegre, RS - Brazil
[5] Fed Univ Amazonas UFAM, BR-69080900 Manaus, Amazonas - Brazil
[6] Fed Univ Western Para UFOPA, BR-68035110 Santarem, Para - Brazil
[7] Fed Univ Sao Carlos UFSCar, BR-13565905 Sao Carlos, SP - Brazil
Total Affiliations: 7
|
| Document type: | Journal article |
| Source: | Journal of Physical Chemistry Letters; v. 10, n. 7, p. 1471-1476, APR 4 2019. |
| Web of Science Citations: | 1 |
| Abstract | |
Nanocrystals (NCs) present unique physicochemical properties arising from their size and the presence of ligands. Comprehending and controlling the ligand-crystal interactions as well as the ligand exchange process is one of the central themes in NC science nowadays. However, the relationship between NC structural disorder and the ligand exchange effect in the NC atomic structure is not yet sufficiently understood. Here we combine pair distribution function analysis from electron diffraction data, extended X-ray absorption fine structure, and high-resolution transmission electron microscopy as experimental techniques and first-principles density functional theory calculations to elucidate the ligand exchange effects in the ZrO2 NC structure. We report a substantial decrease in the structural disorder for ZrO2 NCs caused by strain rearrangements during the ligand exchange process. These results can have a direct impact on the development of functional nanomaterials, especially in properties controlled by structural disorder. (AU) | |
| FAPESP's process: | 17/18139-6 - Machine learning for Materials Science: 2D materials discovery and design |
| Grantee: | Gabriel Ravanhani Schleder |
| Support Opportunities: | Scholarships in Brazil - Doctorate |
| FAPESP's process: | 17/02317-2 - Interfaces in materials: electronic, magnetic, structural and transport properties |
| Grantee: | Adalberto Fazzio |
| Support Opportunities: | Research Projects - Thematic Grants |
| FAPESP's process: | 13/07296-2 - CDMF - Center for the Development of Functional Materials |
| Grantee: | Elson Longo da Silva |
| Support Opportunities: | Research Grants - Research, Innovation and Dissemination Centers - RIDC |