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Title: The effect of oxygen vacancies on water wettability of transition metal based SrTiO 3 and rare-earth based Lu 2O 3

Abstract

Understanding the structural, physical and chemical properties of the surface and interfaces of different metal-oxides and their possible applications in photo-catalysis and biology is a very important emerging research field. Motivated in this direction, this article would enable understanding of how different fluids, particularly water, interact with oxide surfaces. We have studied the water contact angle of 3d transition metal oxide thin films of SrTiO 3, and of 4f rare-earth oxide thin films of Lu 2O 3. These metal oxides were grown using pulsed laser deposition and they are atomically flat and with known orientation and explicitly characterized for their structure and composition. Further study was done on the effects of oxygen vacancies on the water contact angle of the 3d and 4f oxides. For 3d SrTiO 3 oxide with oxygen vacancies, we have observed an increase in hydroxylation with consequent increase of wettability which is in line with the previous reports whereas an interesting opposite trend was seen in the case of rare-earth Lu 2O 3 oxide. Density functional theory simulations of water interaction on the above mentioned systems have also been presented to further substantiate our experimental findings.

Authors:
 [1];  [1];  [1];  [2];  [3];  [3];  [1];  [1];  [3];  [4];  [5]
  1. National Univ. of Singapore (NUS), Singapore (Singapore). NUSNNI-NanoCore
  2. National Univ. of Singapore (NUS), Singapore (Singapore). NUSNNI-NanoCore, NUS Graduate School for Integrative Sciences and Engineering
  3. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Electrochemical Energy Lab.
  4. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Electrochemical Energy Lab.; Univ. of Milano-Bicocca, Milano (Italy). Dept. of Material Science
  5. National Univ. of Singapore (NUS), Singapore (Singapore). NUSNNI-NanoCore, Dept. of Electrical Engineering, NUS Graduate School for Integrative Sciences and Engineering, Dept. of Materials Science and Engineering, Dept. of Physics, Faculty of Science
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1492050
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
RSC Advances
Additional Journal Information:
Journal Volume: 6; Journal Issue: 110; Journal ID: ISSN 2046-2069
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Sarkar, Tarapada, Ghosh, Siddhartha, Annamalai, Meenakshi, Patra, Abhijeet, Stoerzinger, Kelsey, Lee, Yueh-Lin, Prakash, Saurav, Motapothula, Mallikarjuna Rao, Shao-Horn, Yang, Giordano, Livia, and Venkatesan, T. The effect of oxygen vacancies on water wettability of transition metal based SrTiO3 and rare-earth based Lu2O3. United States: N. p., 2016. Web. doi:10.1039/c6ra22391e.
Sarkar, Tarapada, Ghosh, Siddhartha, Annamalai, Meenakshi, Patra, Abhijeet, Stoerzinger, Kelsey, Lee, Yueh-Lin, Prakash, Saurav, Motapothula, Mallikarjuna Rao, Shao-Horn, Yang, Giordano, Livia, & Venkatesan, T. The effect of oxygen vacancies on water wettability of transition metal based SrTiO3 and rare-earth based Lu2O3. United States. doi:10.1039/c6ra22391e.
Sarkar, Tarapada, Ghosh, Siddhartha, Annamalai, Meenakshi, Patra, Abhijeet, Stoerzinger, Kelsey, Lee, Yueh-Lin, Prakash, Saurav, Motapothula, Mallikarjuna Rao, Shao-Horn, Yang, Giordano, Livia, and Venkatesan, T. Wed . "The effect of oxygen vacancies on water wettability of transition metal based SrTiO3 and rare-earth based Lu2O3". United States. doi:10.1039/c6ra22391e. https://www.osti.gov/servlets/purl/1492050.
@article{osti_1492050,
title = {The effect of oxygen vacancies on water wettability of transition metal based SrTiO3 and rare-earth based Lu2O3},
author = {Sarkar, Tarapada and Ghosh, Siddhartha and Annamalai, Meenakshi and Patra, Abhijeet and Stoerzinger, Kelsey and Lee, Yueh-Lin and Prakash, Saurav and Motapothula, Mallikarjuna Rao and Shao-Horn, Yang and Giordano, Livia and Venkatesan, T.},
abstractNote = {Understanding the structural, physical and chemical properties of the surface and interfaces of different metal-oxides and their possible applications in photo-catalysis and biology is a very important emerging research field. Motivated in this direction, this article would enable understanding of how different fluids, particularly water, interact with oxide surfaces. We have studied the water contact angle of 3d transition metal oxide thin films of SrTiO3, and of 4f rare-earth oxide thin films of Lu2O3. These metal oxides were grown using pulsed laser deposition and they are atomically flat and with known orientation and explicitly characterized for their structure and composition. Further study was done on the effects of oxygen vacancies on the water contact angle of the 3d and 4f oxides. For 3d SrTiO3 oxide with oxygen vacancies, we have observed an increase in hydroxylation with consequent increase of wettability which is in line with the previous reports whereas an interesting opposite trend was seen in the case of rare-earth Lu2O3 oxide. Density functional theory simulations of water interaction on the above mentioned systems have also been presented to further substantiate our experimental findings.},
doi = {10.1039/c6ra22391e},
journal = {RSC Advances},
number = 110,
volume = 6,
place = {United States},
year = {2016},
month = {11}
}

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Cited by: 11 works
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Works referenced in this record:

Wetting and Roughness
journal, August 2008


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996