Controlling the Activation Energy for Single-Ion Diffusion through a Hybrid Polyelectrolyte Matrix by Manipulating the Central Coordinate Semimetal Atom

Autor(es)

Ferrari, Victoria C. ^{[1, 2]} ; Alvim, Raphael S. ^[1] ; de Queiroz, Thiago B. ^[1] ; Dalpian, Gustavo M. ^[1] ; Souza, Flavio L. ^{[1, 3]}

Afiliação do(s) autor(es)

^[1] Univ Fed Abc, Ave Estados 5001, BR-09210580 Santo Andre, SP - Brazil

^[2] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 - USA

^[3] Brazilian Nanotechnol Natl Lab LNNano, BR-13083970 Campinas, SP - Brazil

• Tipo de documento: Artigo Científico
• Fonte: Journal of Physical Chemistry Letters; v. 10, n. 24, p. 7684-7689, DEC 19 2019.
• Citações Web of Science: 0

Resumo

The diffusion of lithium ions decoupled from a solid polymer electrolyte matrix is the key for high-energy electrochemical devices with the safety needed for commercial use. This Letter reports how the ion mobility in a single-phase hybrid polyelectrolyte (SPHP) matrix can be tuned by changing an inorganic coordinating atom from silicon (Si) to germanium (Ge). Nuclear Magnetic Resonance (NMR) results show that the lithium ion activation barrier in the polyelectrolyte with Si can be modulated from 0.26 eV to the unprecedented value of 0.12 eV in the polyelectrolyte with Ge. Density functional theory is used to show that the electronic structures of both polymers are very different, although their chemical structures are very similar, except for the coordinating atom. This simple chemical substitution route will certainly increase the interest in these polymers for applications in electrochemical devices. (AU)

• 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