Structural and Electronic Competing Mechanisms in the Formation of Amorphous Carbon Nitride by Compressing s-Triazine

Autor(es)

Citroni, Margherita ^{[1, 2]} ; Fanetti, Samuele ^[1] ; Bazzicalupi, Carla ^[2] ; Dziubek, Kamil ^{[1, 3]} ; Pagliai, Marco ^[2] ; Nobrega, Marcelo Medre ^[4] ; Mezouar, Mohamed ^[5] ; Bini, Roberto ^{[1, 2]}

Afiliação do(s) autor(es)

^[1] LENS, I-50019 Florence - Italy

^[2] Univ Florence, Dipartimento Chim Ugo Schiff, I-50019 Florence - Italy

^[3] Adam Mickiewicz Univ, Fac Chem, PL-61614 Poznan - Poland

^[4] Univ Sao Paulo, Inst Quim, Dept Quim Fundamental, BR-05513970 Sao Paulo, SP - Brazil

^[5] European Synchrotron Radiat Facil, F-38043 Grenoble - France

• Tipo de documento: Artigo Científico
• Fonte: Journal of Physical Chemistry C; v. 119, n. 51, p. 28560-28569, DEC 24 2015.
• Citações Web of Science: 14

Resumo

The pressure-induced transformation of molecular crystals can give rise to new materials characterized by intriguing hardness Or energetic properties. Mechanisms regulating these reactions at the molecular level result from a complex interplay among crystal structure, lattice dynamics, and electronic properties. Here, we show that the formation of a three-dimensional amorphous carbon nitride by compressing phase II s-triazine is controlled by the competition between two different mechanisms, one entirely structural and the other electronic, representing the first example where such occurrence is demonstrated. Temperature drives the reactivity below 8 GP a by ruling the lattice dynamics, whereas above 8 GPa the electronic modifications, uniquely governed by pressure, trigger the chemical transformation. The amorphous material synthesized has a bonding structure characterized by a bulk typical of a strongly conjugated three-dimensional carbon nitride with hydrogen atoms Migrated to saturate C and N terminations. (AU)

• Processo FAPESP: 10/18107-8 - Estudo das estruturas de nanofibras de PANI e de seus híbridos com nanoestruturas metálicas por espectroscopia Raman
• Beneficiário: Marcelo Medre Nobrega
• Modalidade de apoio: Bolsas no Brasil - Doutorado
• Processo FAPESP: 13/05983-2 - Estudo do comportamento estrutural das formas sal e base de esmeraldina da polianilina com morfologia bulk e fibras frente à aplicação de alta pressão
• Beneficiário: Marcelo Medre Nobrega
• Modalidade de apoio: Bolsas no Exterior - Estágio de Pesquisa - Doutorado