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Title: 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 » 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.« less

Authors:
 [1];  [2];  [3];  [1]; ;  [4]
  1. Dpto. de Teoría de la Señal y Comunicaciones e IT, Universidad de Valladolid, ETSI Telecomunicación, Paseo Belén 15, 47011 Valladolid (Spain)
  2. Dpto. de Teoría de la Señal y Comunicaciones, Universidad de Vigo, ETSI Telecomunicación, Lagoas Marcosende s/n, Vigo (Spain)
  3. Instituto de Investigaciones en Materiales (IIM), Universidad Nacional Autónoma de México, Apdo. Postal 70–360, Cd. Universitaria, México D.F. 04510 (Mexico)
  4. 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}
}