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

Author(s)

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]}

Affiliation

^[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

• Document type: Journal article
• Source: Journal of Physical Chemistry C; v. 119, n. 51, p. 28560-28569, DEC 24 2015.
• Web of Science Citations: 14

Abstract

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)

• FAPESP's process: 10/18107-8 - Study of the structures of PANI nanofibers and their hybrids with metallic nanostructures by Raman epectroscopy
• Grantee: Marcelo Medre Nobrega
• Support Opportunities: Scholarships in Brazil - Doctorate
• FAPESP's process: 13/05983-2 - Study of the structural behavior of the emeraldine salt and base forms of polyaniline with bulk and fibers morphology under high pressure
• Grantee: Marcelo Medre Nobrega
• Support Opportunities: Scholarships abroad - Research Internship - Doctorate