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Anisotropic thermal expansion of black phosphorus from nanoscale dynamics of phosphorene layers
- Source :
- Nanoscale, Nanoscale, Royal Society of Chemistry, 2020, 12, pp.4491-4497. ⟨10.1039/C9NR09218H⟩, Nanoscale (Online) 12 (2020): 4491–4497. doi:10.1039/C9NR09218H, info:cnr-pdr/source/autori:Laura Henry, Volodymyr Svitlyk, Mohamed Mezouar, David Sifre, Gaston Garbarino, Matteo Ceppatelli, Manuel Serrano-Ruiz, Maurizio Peruzzini, Frederic Datchi/titolo:Anisotropic thermal expansion of black phosphorus from nanoscale dynamics of Phosphorene layers/doi:10.1039%2FC9NR09218H/rivista:Nanoscale (Online)/anno:2020/pagina_da:4491/pagina_a:4497/intervallo_pagine:4491–4497/volume:12, Nanoscale, 2020, 12, pp.4491-4497. ⟨10.1039/C9NR09218H⟩
- Publication Year :
- 2020
-
Abstract
- International audience; Black phosphorus (bP) is a crystalline material which can be seen as an ordered stacking of two-dimensional layers, referred to as Phosphorene. The knowledge of the linear thermal expansion coefficients (LTEC) of bP is of great interest in the field of 2D materials for a better understanding of the anistropic thermal properties and exfoliation mechanism of this material. Despite several theoretical and experimental studies important uncertainties remain in the determination of the LTEC of bP. Here, we report accurate thermal expansion measurements along the three crystallographic axes using in-situ high temperature x-ray diffraction. From the progressive reduction of the diffracted intensities with temperature we monitored the loss of the crystal structure of bP across the investigated temperature range, evidencing two thermal expansion regimes at temperature below and above 706 K. Below 706 K, we observe a strong out-of-plane anisotropy, while at temperatures above 706 K a larger thermal expansion occurs along the a crystallographic direction. From our data and by taking advantage of ab-initio optimization, we propose a detailed anisotropic thermal expansion mechanism of bP, which leads to an inter- and intra-layer destabilization. An interpretation of it, based on the high T perturbation of the stabilizing sp orbital mixing effect, is provided, consistently with high pressure data.
- Subjects :
- Diffraction
Materials science
Condensed matter physics
Ab initio
Black phosphorus
02 engineering and technology
Crystal structure
Atmospheric temperature range
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
phosphorene
Thermal expansion
0104 chemical sciences
Phosphorene
chemistry.chemical_compound
chemistry
Thermal
[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]
General Materials Science
0210 nano-technology
Anisotropy
thermal expansion measurements
Subjects
Details
- ISSN :
- 20403372 and 20403364
- Volume :
- 12
- Issue :
- 7
- Database :
- OpenAIRE
- Journal :
- Nanoscale
- Accession number :
- edsair.doi.dedup.....7aa71d9bbbaf1ada4575998263f19cd7
- Full Text :
- https://doi.org/10.1039/C9NR09218H⟩