Atomic scale study of surface orientations and energies of Ti2O3 crystals
Abstract
For nanostructured particles, the faceting planes and their terminating chemical species are two critical factors that govern their chemical behavior. In this paper, the surface atomistic structure and termination of Ti2O3 crystals were analyzed using atomic-scale aberration-corrected scanning transmission electron microscopy (STEM) combined with density functional theory (DFT) calculations. STEM imaging reveals that the Ti2O3 crystals are most often faceted along (001), (012), (-114), and (1–20) planes. The DFT calculation indicates that the (012) surface with TiO-termination has the lowest cleavage energy and correspondingly the lowest surface energy, indicating that (012) will be the most stable and prevalent surfaces in Ti2O3 nanocrystals. Finally, these observations provide insights for exploring the interfacial process involving Ti2O3 nanoparticles.
- Authors:
-
[1];
[2];
- Southern Univ. of Science and Technology, Shenzhen (China). Dept. of Materials Science and Engineering
- Univ. of Electronic Science and Technology of China, Chengdu (China). School of Physical Electronics
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Science Lab.
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Energy and Environmental Directorate
- Publication Date:
- Research Org.:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Southern University of Science and Technology (SUSTech), Shenzhen (China); Univ. of Electronic Science and Technology of China, Chengdu (China)
- Sponsoring Org.:
- USDOE Office of Science (SC), Biological and Environmental Research (BER); Southern Univ. of Science and Technology (China); National Natural Science Foundation of China (NSFC)
- OSTI Identifier:
- 1430714
- Alternate Identifier(s):
- OSTI ID: 1406385
- Report Number(s):
- PNNL-SA-122134
Journal ID: ISSN 0003-6951; TRN: US1802756
- Grant/Contract Number:
- AC05-76RL01830; Y01256127; 11474047
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Applied Physics Letters
- Additional Journal Information:
- Journal Volume: 111; Journal Issue: 18; Journal ID: ISSN 0003-6951
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; materials; nanoparticles; metals; microscopy; crystallography; metallurgy; chemical analysis; transition metals; electron microscopy; materials analysis
Citation Formats
Gu, Meng, Wang, Zhiguo, Wang, Chongmin, and Zheng, Jianming. Atomic scale study of surface orientations and energies of Ti2O3 crystals. United States: N. p., 2017.
Web. doi:10.1063/1.5004017.
Gu, Meng, Wang, Zhiguo, Wang, Chongmin, & Zheng, Jianming. Atomic scale study of surface orientations and energies of Ti2O3 crystals. United States. https://doi.org/10.1063/1.5004017
Gu, Meng, Wang, Zhiguo, Wang, Chongmin, and Zheng, Jianming. Wed .
"Atomic scale study of surface orientations and energies of Ti2O3 crystals". United States. https://doi.org/10.1063/1.5004017. https://www.osti.gov/servlets/purl/1430714.
@article{osti_1430714,
title = {Atomic scale study of surface orientations and energies of Ti2O3 crystals},
author = {Gu, Meng and Wang, Zhiguo and Wang, Chongmin and Zheng, Jianming},
abstractNote = {For nanostructured particles, the faceting planes and their terminating chemical species are two critical factors that govern their chemical behavior. In this paper, the surface atomistic structure and termination of Ti2O3 crystals were analyzed using atomic-scale aberration-corrected scanning transmission electron microscopy (STEM) combined with density functional theory (DFT) calculations. STEM imaging reveals that the Ti2O3 crystals are most often faceted along (001), (012), (-114), and (1–20) planes. The DFT calculation indicates that the (012) surface with TiO-termination has the lowest cleavage energy and correspondingly the lowest surface energy, indicating that (012) will be the most stable and prevalent surfaces in Ti2O3 nanocrystals. Finally, these observations provide insights for exploring the interfacial process involving Ti2O3 nanoparticles.},
doi = {10.1063/1.5004017},
journal = {Applied Physics Letters},
number = 18,
volume = 111,
place = {United States},
year = {Wed Nov 01 00:00:00 EDT 2017},
month = {Wed Nov 01 00:00:00 EDT 2017}
}
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