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Title: The effect of oxygen vacancies on water wettability of transition metal based SrTiO3 and rare-earth based Lu2O3

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 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.

Authors:
 [1];  [1];  [1];  [2];  [3];  [3];  [1];  [1];  [3];  [4];  [5]
+ Show Author Affiliations
  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 Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1492050
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Journal Article: 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.
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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. https://doi.org/10.1039/c6ra22391e
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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. 2016. "The effect of oxygen vacancies on water wettability of transition metal based SrTiO3 and rare-earth based Lu2O3". United States. https://doi.org/10.1039/c6ra22391e. https://www.osti.gov/servlets/purl/1492050.
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@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},
url = {https://www.osti.gov/biblio/1492050}, journal = {RSC Advances},
issn = {2046-2069},
number = 110,
volume = 6,
place = {United States},
year = {Wed Nov 09 00:00:00 EST 2016},
month = {Wed Nov 09 00:00:00 EST 2016}
}
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Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1039/c6ra22391e
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Citation Metrics:
Cited by: 28 works
Citation information provided by
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Figures / Tables:

Fig. 1 Fig. 1: Schematic diagram of a liquid drop on a solid surface showing contact angle θ.
All figures and tables (7 total)
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Works referenced in this record:

Blue-light emission at room temperature from Ar+-irradiated SrTiO3
journal, October 2005

Effect of Surface Polarity on Water Contact Angle and Interfacial Hydration Structure
journal, August 2007

Surface morphology effects on the light-controlled wettability of ZnO nanostructures
journal, August 2012

Ab Initio Calculations of Supramolecular Recognition Modes. Cyclic versus Noncyclic Hydrogen Bonding in the Formic Acid/Formamide System
journal, June 1994

Wetting and Roughness
journal, August 2008

UV-Driven Reversible Switching of a Roselike Vanadium Oxide Film between Superhydrophobicity and Superhydrophilicity
journal, April 2007

Photoinduced Surface Wettability Conversion of ZnO and TiO 2 Thin Films
journal, March 2001

Tunable and reversible surface wettability transition of vertically aligned ZnO nanorod arrays
journal, May 2009

Controlling Wettability and Photochromism in a Dual-Responsive Tungsten Oxide Film
journal, February 2006

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

Superhydrophilic TiO2 surface without photocatalytic activation
journal, March 2010

The effect of oxygen vacancies on water wettability of a ZnO surface
journal, January 2013

Role of surface oxygen-to-metal ratio on the wettability of rare-earth oxides
journal, February 2015

Bio-Inspired Titanium Dioxide Materials with Special Wettability and Their Applications
journal, May 2014

Ti3+ Defect Sites on TiO2(110): Production and Chemical Detection of Active Sites
journal, November 1994

Noncontact atomic force microscopy imaging of water dissociation products on TiO 2 ( 110 )
journal, August 2006

Metal-Insulator Transition in SrTiO 3 − x Thin Films Induced by Frozen-Out Carriers
journal, September 2011

Photocatalysis and hydrophilicity of doped TiO2 thin films
journal, November 2003

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
journal, September 1992

Comparison of photochemical properties of brookite and anatase TiO2 films
journal, January 2004

Excess electron states in reduced bulk anatase TiO2: Comparison of standard GGA, GGA+U, and hybrid DFT calculations
journal, October 2008

Reversible Photoinduced Wettability Transition of Hierarchical ZnO Structures
journal, January 2009

Ultrafast switching in wetting properties of TiO 2 /YSZ/Si(001) epitaxial heterostructures induced by laser irradiation
journal, February 2013

Formation and Splitting of Paired Hydroxyl Groups on Reduced TiO 2 ( 110 )
journal, February 2006

Surface Roughness and Contact Angle.
journal, September 1949

Thermally Induced Superhydrophilicity in TiO 2 Films Prepared by Supersonic Aerosol Deposition
journal, June 2013

Reversible Super-hydrophobicity to Super-hydrophilicity Transition of Aligned ZnO Nanorod Films
journal, January 2004

Photoinduced Surface Reactions on TiO 2 and SrTiO 3 Films:  Photocatalytic Oxidation and Photoinduced Hydrophilicity
journal, January 2000

Light-induced amphiphilic surfaces
journal, July 1997

Visible-light induced hydrophilicity on nitrogen-substituted titanium dioxide films
journal, January 2003

Effect of oxygen vacancies in the SrTiO 3 substrate on the electrical properties of the LaAlO 3 ∕ SrTiO 3 interface
journal, March 2007

Electronic Structure of Defect States in Hydroxylated and Reduced Rutile TiO 2 ( 110 ) Surfaces
journal, October 2006

Localized and Itinerant States in Lanthanide Oxides United by G W   @   LDA + U
journal, March 2009

The Fabrication and Switchable Superhydrophobicity of TiO2 Nanorod Films
journal, August 2005

Direct visualization of defect-mediated dissociation of water on TiO2(110)
journal, February 2006

Controlling Wettability and Photochromism in a Dual-Responsive Tungsten Oxide Film
journal, February 2006

The Fabrication and Switchable Superhydrophobicity of TiO2 Nanorod Films
journal, August 2005

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    Works referencing / citing this record:

    The Origin of Superhydrophobicity for Intrinsically Hydrophilic Metal Oxides: A Preferential O 2 Adsorption Dominated by Oxygen Vacancies
    journal, November 2019

    Charge disproportionate molecular redox for discrete memristive and memcapacitive switching
    journal, March 2020

    Intrinsic hydrophilic nature of epitaxial thin-film of rare-earth oxide grown by pulsed laser deposition
    journal, January 2018

    Crystallographic orientation–surface energy–wetting property relationships of rare earth oxides
    journal, January 2018

    Ethanol gas sensing improvement at high humidity levels and optical features using Ba-doped ZnO NPs
    journal, July 2019

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      Figures / Tables found in this record:

      Fig. 1(p. 2)figure
      Fig. 2(p. 3)figure
      Fig. 3(p. 3)figure
      Fig. 4(p. 4)figure
      Fig. 5(p. 4)figure
      Fig. 6(p. 5)figure
      Fig. 7(p. 5)figure
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        Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.

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