2D to 3D transition of polymeric carbon nitride nanosheets
Abstract
The transition from a prevalent turbostratic arrangement with low planar interactions (2D) to an array of polymeric carbon nitride nanosheets with stronger interplanar interactions (3D), occurring for samples treated above 650 °C, was detected by terahertz-time domain spectroscopy (THz-TDS). The simulated 3D material made of stacks of shifted quasi planar sheets composed of zigzagged polymer ribbons, delivered a XRD simulated pattern in relatively good agreement with the experimental one. The 2D to 3D transition was also supported by the simulation of THz-TDS spectra obtained from quantum chemistry calculations, in which the same broad bands around 2 THz and 1.5 THz were found for 2D and 3D arrays, respectively. This transition was also in accordance with the tightening of the interplanar distance probably due to an interplanar π bond contribution, as evidenced also by a broad absorption around 2.6 eV in the UV–vis spectrum, which appeared in the sample treated at 650 °C, and increased in the sample treated at 700 °C. The band gap was calculated for 1D and 2D cases. The value of 3.374 eV for the 2D case is, within the model accuracy and precision, in a relative good agreement with the value of 3.055 eV obtained frommore »
- Authors:
-
- Dpto. de Teoría de la Señal y Comunicaciones e IT, Universidad de Valladolid, ETSI Telecomunicación, Paseo Belén 15, 47011 Valladolid (Spain)
- Dpto. de Teoría de la Señal y Comunicaciones, Universidad de Vigo, ETSI Telecomunicación, Lagoas Marcosende s/n, Vigo (Spain)
- Instituto de Investigaciones en Materiales (IIM), Universidad Nacional Autónoma de México, Apdo. Postal 70–360, Cd. Universitaria, México D.F. 04510 (Mexico)
- Laboratorio de Materiales Avanzados (Advanced Materials Laboratory) ETSIIAA, Universidad de Valladolid, Avenida de Madrid 44, 34004 Palencia (Spain)
- Publication Date:
- OSTI Identifier:
- 22443464
- Resource Type:
- Journal Article
- Journal Name:
- Journal of Solid State Chemistry
- Additional Journal Information:
- Journal Volume: 219; Other Information: Copyright (c) 2014 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 77 NANOSCIENCE AND NANOTECHNOLOGY; ABSORPTION; ACCURACY; CARBON NITRIDES; EV RANGE; INTERACTIONS; NANOSTRUCTURES; POLYMERS; SIMULATION; SPECTRA; SPECTROSCOPY; X-RAY DIFFRACTION
Citation Formats
Chamorro-Posada, Pedro, Vázquez-Cabo, José, Sánchez-Arévalo, Francisco M., Martín-Ramos, Pablo, Laboratorio de Materiales Avanzados, Martín-Gil, Jesús, Navas-Gracia, Luis M., and Dante, Roberto C., E-mail: rcdante@yahoo.com. 2D to 3D transition of polymeric carbon nitride nanosheets. United States: N. p., 2014.
Web. doi:10.1016/J.JSSC.2014.07.036.
Chamorro-Posada, Pedro, Vázquez-Cabo, José, Sánchez-Arévalo, Francisco M., Martín-Ramos, Pablo, Laboratorio de Materiales Avanzados, Martín-Gil, Jesús, Navas-Gracia, Luis M., & Dante, Roberto C., E-mail: rcdante@yahoo.com. 2D to 3D transition of polymeric carbon nitride nanosheets. United States. https://doi.org/10.1016/J.JSSC.2014.07.036
Chamorro-Posada, Pedro, Vázquez-Cabo, José, Sánchez-Arévalo, Francisco M., Martín-Ramos, Pablo, Laboratorio de Materiales Avanzados, Martín-Gil, Jesús, Navas-Gracia, Luis M., and Dante, Roberto C., E-mail: rcdante@yahoo.com. 2014.
"2D to 3D transition of polymeric carbon nitride nanosheets". United States. https://doi.org/10.1016/J.JSSC.2014.07.036.
@article{osti_22443464,
title = {2D to 3D transition of polymeric carbon nitride nanosheets},
author = {Chamorro-Posada, Pedro and Vázquez-Cabo, José and Sánchez-Arévalo, Francisco M. and Martín-Ramos, Pablo and Laboratorio de Materiales Avanzados and Martín-Gil, Jesús and Navas-Gracia, Luis M. and Dante, Roberto C., E-mail: rcdante@yahoo.com},
abstractNote = {The transition from a prevalent turbostratic arrangement with low planar interactions (2D) to an array of polymeric carbon nitride nanosheets with stronger interplanar interactions (3D), occurring for samples treated above 650 °C, was detected by terahertz-time domain spectroscopy (THz-TDS). The simulated 3D material made of stacks of shifted quasi planar sheets composed of zigzagged polymer ribbons, delivered a XRD simulated pattern in relatively good agreement with the experimental one. The 2D to 3D transition was also supported by the simulation of THz-TDS spectra obtained from quantum chemistry calculations, in which the same broad bands around 2 THz and 1.5 THz were found for 2D and 3D arrays, respectively. This transition was also in accordance with the tightening of the interplanar distance probably due to an interplanar π bond contribution, as evidenced also by a broad absorption around 2.6 eV in the UV–vis spectrum, which appeared in the sample treated at 650 °C, and increased in the sample treated at 700 °C. The band gap was calculated for 1D and 2D cases. The value of 3.374 eV for the 2D case is, within the model accuracy and precision, in a relative good agreement with the value of 3.055 eV obtained from the experimental results. - Graphical abstract: 2D lattice mode vibrations and structural changes correlated with the so called “2D to 3D transition”. - Highlights: • A 2D to 3D transition has been detected for polymeric carbon nitride. • THz-TDS allowed us to discover and detect the 2D to 3D transition of polymeric carbon nitride. • We propose a structure for polymeric carbon nitride confirming it with THz-TDS.},
doi = {10.1016/J.JSSC.2014.07.036},
url = {https://www.osti.gov/biblio/22443464},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = ,
volume = 219,
place = {United States},
year = {Sat Nov 15 00:00:00 EST 2014},
month = {Sat Nov 15 00:00:00 EST 2014}
}