RT Conference Proceedings
T1 Theoretical investigation of structural and electronic properties of truxene-based 2D polymers.
A1 Sánchez Rincón, Juan
A1 Gámez-Valenzuela, Sergio
A1 Gómez-Lor, Berta
A1 Martínez, Jose Ignacio
A1 Ruiz-Delgado, María del Carmen
K1 Semiconductores orgánicos
K1 Polímeros
AB Recently, significant attention has been devoted to the design and synthesis of covalent organic frameworks (COFs) as semiconductor materials, which has emerged as an effective strategy to provide large electron delocalization. The extended π-conjugated nature of these systems together with their 2D nature can lead to strong electronic interactions between the 2D COF layers, making them highly applicable to a wide range of potential applications in energy storage, photocatalysis, gas storage or identification of analytes, among others.[1] Recently, in collaboration with the group of Dr. Berta Gómez-Lor, we have studied the relationships between the chemical structure and electronic properties of several C3-symmetric truxene-based semiconductors[2] and 2D polymers with different π-substituted bridges connecting the cores.[3]  This systematic study provides a powerful protocol for the pre-filtering of new candidate materials to guide the design of new optimized 2D materials.[3] In our previous theoretical study shows that the most promising charge transport properties were predicted for 2D COFs based on hexa-substituted truxene cores with alkyne bridges. As a novelty, now in this work we wanted to explore how an increasing number of alkyne bridges can influence the electronic and charge transport properties of these 2D conjugated polymers.
YR 2024
FD 2024
LK https://hdl.handle.net/10630/34875
UL https://hdl.handle.net/10630/34875
LA eng
NO Plan Propio de Investigación de la UMAUniversidad de Málaga. Campus de Excelencia Internacional Andalucía Tech.
DS RIUMA. Repositorio Institucional de la Universidad de Málaga
RD 20 ene 2026