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Title: Pressure‐Induced Formation and Mechanical Properties of 2D Diamond Boron Nitride

Abstract

Understanding phase transformations in 2D materials can unlock unprecedented developments in nanotechnology, since their unique properties can be dramatically modified by external fields that control the phase change. Here, experiments and simulations are used to investigate the mechanical properties of a 2D diamond boron nitride (BN) phase induced by applying local pressure on atomically thin h-BN on a SiO2 substrate, at room temperature, and without chemical functionalization. Molecular dynamics (MD) simulations show a metastable local rearrangement of the h-BN atoms into diamond crystal clusters when increasing the indentation pressure. Raman spectroscopy experiments confirm the presence of a pressure-induced cubic BN phase, and its metastability upon release of pressure. Å-indentation experiments and simulations show that at pressures of 2–4 GPa, the indentation stiffness of monolayer h-BN on SiO2 is the same of bare SiO2, whereas for two- and three-layer-thick h-BN on SiO2 the stiffness increases of up to 50% compared to bare SiO2, and then it decreases when increasing the number of layers. Up to 4 GPa, the reduced strain in the layers closer to the substrate decreases the probability of the sp2-to-sp3 phase transition, explaining the lower stiffness observed in thicker h-BN.

Authors:
 [1]; ORCiD logo [2];  [3];  [4];  [1];  [1];  [3]; ORCiD logo [1]
  1. Tandon School of Engineering New York University Brooklyn NY 11201 USA
  2. Tandon School of Engineering New York University Brooklyn NY 11201 USA;Department of Physics New York University New York NY 10003 USA
  3. Center for Integrated Nanotechnologies Sandia National Laboratories Albuquerque NM 87185 USA
  4. Department of Chemistry College of Staten Island City University of New York Staten Island NY 10314 USA;CUNY Graduate Center Ph.D. Program in Chemistry and Physics New York NY 10016 USA
Publication Date:
Research Org.:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Center for Integrated Nanotechnologies (CINT)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES); US Army Research Office (ARO)
OSTI Identifier:
1735649
Alternate Identifier(s):
OSTI ID: 1760363; OSTI ID: 1785757
Report Number(s):
SAND-2020-13100J
Journal ID: ISSN 2198-3844
Grant/Contract Number:  
AC04-94AL85000; SC0018924; NA0003525; W911NF2020116
Resource Type:
Published Article
Journal Name:
Advanced Science
Additional Journal Information:
Journal Name: Advanced Science Journal Volume: 8 Journal Issue: 2; Journal ID: ISSN 2198-3844
Publisher:
Wiley
Country of Publication:
Germany
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Cellini, Filippo, Lavini, Francesco, Chen, Elton, Bongiorno, Angelo, Popovic, Filip, Hartman, Ryan L., Dingreville, Remi, and Riedo, Elisa. Pressure‐Induced Formation and Mechanical Properties of 2D Diamond Boron Nitride. Germany: N. p., 2020. Web. https://doi.org/10.1002/advs.202002541.
Cellini, Filippo, Lavini, Francesco, Chen, Elton, Bongiorno, Angelo, Popovic, Filip, Hartman, Ryan L., Dingreville, Remi, & Riedo, Elisa. Pressure‐Induced Formation and Mechanical Properties of 2D Diamond Boron Nitride. Germany. https://doi.org/10.1002/advs.202002541
Cellini, Filippo, Lavini, Francesco, Chen, Elton, Bongiorno, Angelo, Popovic, Filip, Hartman, Ryan L., Dingreville, Remi, and Riedo, Elisa. Fri . "Pressure‐Induced Formation and Mechanical Properties of 2D Diamond Boron Nitride". Germany. https://doi.org/10.1002/advs.202002541.
@article{osti_1735649,
title = {Pressure‐Induced Formation and Mechanical Properties of 2D Diamond Boron Nitride},
author = {Cellini, Filippo and Lavini, Francesco and Chen, Elton and Bongiorno, Angelo and Popovic, Filip and Hartman, Ryan L. and Dingreville, Remi and Riedo, Elisa},
abstractNote = {Understanding phase transformations in 2D materials can unlock unprecedented developments in nanotechnology, since their unique properties can be dramatically modified by external fields that control the phase change. Here, experiments and simulations are used to investigate the mechanical properties of a 2D diamond boron nitride (BN) phase induced by applying local pressure on atomically thin h-BN on a SiO2 substrate, at room temperature, and without chemical functionalization. Molecular dynamics (MD) simulations show a metastable local rearrangement of the h-BN atoms into diamond crystal clusters when increasing the indentation pressure. Raman spectroscopy experiments confirm the presence of a pressure-induced cubic BN phase, and its metastability upon release of pressure. Å-indentation experiments and simulations show that at pressures of 2–4 GPa, the indentation stiffness of monolayer h-BN on SiO2 is the same of bare SiO2, whereas for two- and three-layer-thick h-BN on SiO2 the stiffness increases of up to 50% compared to bare SiO2, and then it decreases when increasing the number of layers. Up to 4 GPa, the reduced strain in the layers closer to the substrate decreases the probability of the sp2-to-sp3 phase transition, explaining the lower stiffness observed in thicker h-BN.},
doi = {10.1002/advs.202002541},
journal = {Advanced Science},
number = 2,
volume = 8,
place = {Germany},
year = {2020},
month = {12}
}

Journal Article:
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https://doi.org/10.1002/advs.202002541

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