Version 1
: Received: 6 June 2024 / Approved: 7 June 2024 / Online: 7 June 2024 (07:37:18 CEST)
How to cite:
Domato, D. C.; Munio, A. A. Z.; Jacosalem, N. J. P.; Fuentes, D. R. T.; Ambolode II, L. C. C. Insights on the Bonding Mechanism, Electronic and Optical Properties of Diamond Nanothread—Polymer and Cement—Boron Nitride Nanotube Composites. Preprints2024, 2024060460. https://doi.org/10.20944/preprints202406.0460.v1
Domato, D. C.; Munio, A. A. Z.; Jacosalem, N. J. P.; Fuentes, D. R. T.; Ambolode II, L. C. C. Insights on the Bonding Mechanism, Electronic and Optical Properties of Diamond Nanothread—Polymer and Cement—Boron Nitride Nanotube Composites. Preprints 2024, 2024060460. https://doi.org/10.20944/preprints202406.0460.v1
Domato, D. C.; Munio, A. A. Z.; Jacosalem, N. J. P.; Fuentes, D. R. T.; Ambolode II, L. C. C. Insights on the Bonding Mechanism, Electronic and Optical Properties of Diamond Nanothread—Polymer and Cement—Boron Nitride Nanotube Composites. Preprints2024, 2024060460. https://doi.org/10.20944/preprints202406.0460.v1
APA Style
Domato, D. C., Munio, A. A. Z., Jacosalem, N. J. P., Fuentes, D. R. T., & Ambolode II, L. C. C. (2024). Insights on the Bonding Mechanism, Electronic and Optical Properties of Diamond Nanothread—Polymer and Cement—Boron Nitride Nanotube Composites. Preprints. https://doi.org/10.20944/preprints202406.0460.v1
Chicago/Turabian Style
Domato, D. C., Dexter Rhys T. Fuentes and Leo Cristobal C. Ambolode II. 2024 "Insights on the Bonding Mechanism, Electronic and Optical Properties of Diamond Nanothread—Polymer and Cement—Boron Nitride Nanotube Composites" Preprints. https://doi.org/10.20944/preprints202406.0460.v1
Abstract
The success of composite materials is attributed to the nature of bonding at the nanoscale and the resulting structure-related properties. This study reports the interaction, electronic, and optical properties of diamond nanothread/polymers (cellulose and epoxy) and boron nitride nanotube/calcium silicate hydrate composites using density functional theory modeling. Our findings indicate that the interaction between the nanothread and polymer is due to van der Waals-type bonding. Minor modifications in the electronic structures and absorption spectra are noticed. Conversely, the boron nitride nanotube and calcium silicate hydrate composite display an electron-shared type of interaction. The electronic structure and optical absorption spectra of the diamond nanothread and boron nitride nanotube in all configurations studied in the aforementioned composite systems are well maintained. Our findings offer an electronic-level perspective into the bonding characteristics and electronic-optical properties of diamond nanothread/polymer and boron nitride nanotube/calcium silicate hydrate composites for developing next-generation materials.
Keywords
diamond nanothread; polymer; cellulose; epoxy; boron nitride nanotube; calcium silicate hydrate; cement composite; nanocomposite; density functional theory
Subject
Chemistry and Materials Science, Materials Science and Technology
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
,
*
,
,
,
