Decreasing Nanocrystal Structural Disorder by Ligand Exchange: An Experimental and Theoretical Analysis

Autor(es)

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]}

Afiliação do(s) autor(es)

^[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

• Tipo de documento: Artigo Científico
• Fonte: Journal of Physical Chemistry Letters; v. 10, n. 7, p. 1471-1476, APR 4 2019.
• Citações Web of Science: 1

Resumo

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)

• Processo FAPESP: 17/18139-6 - Machine learning e Ciência de Materiais: descoberta e design de materiais 2D
• Beneficiário: Gabriel Ravanhani Schleder
• Modalidade de apoio: Bolsas no Brasil - Doutorado
• Processo FAPESP: 17/02317-2 - Interfaces em materiais: propriedades eletrônicas, magnéticas, estruturais e de transporte
• Beneficiário: Adalberto Fazzio
• Modalidade de apoio: Auxílio à Pesquisa - Temático
• Processo FAPESP: 13/07296-2 - CDMF - Centro de Desenvolvimento de Materiais Funcionais
• Beneficiário: Elson Longo da Silva
• Modalidade de apoio: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs