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Selective adsorption of L-serine functional groups on the anatase TiO2(101) surface in benthic microbial fuel cells
Physical Chemistry Chemical Physics
  • Yan-Ling Zhao, Institute of Material Science and Engineering, Ocean University of China, 266100 Qingdao, China
  • Cui-Hong Wang, School of Science, Tianjin ChengJian University, 300384 Tianjin, China
  • Ying Zhai, Institute of Material Science and Engineering, Ocean University of China, 266100 Qingdao, China
  • Rui-Qin Zhang, Department of Physics and Materials Science, City University of Hong Kong, Hong Kong SAR, China
  • Michel Andre Van Hove, Hong Kong Baptist University
Document Type
Journal Article
Disciplines
Abstract
To help design bacteria-friendly anodes for unmediated benthic microbial fuel cells (MFCs), we explore the role of anatase TiO2(101) surface biocompatibility in selecting the functional groups of the levo-isomer serine (L-Ser), which contains carboxyl, hydroxyl, and amino groups in a single molecule. By performing total energy calculations and molecular dynamics simulations based on a density-functional tight-binding method, we find that at room temperature, the surface should be active for biomolecules with carboxyl/carboxylic and hydroxyl groups, but it is not sensitive to those with amino groups. The hydrogen bonding between the hydroxyl H and surface O facilitates electron transfer from the pili or the bacterial matrix to the anode surface, which improves the output power density. Thus, in combination with conductive polymers, the anatase TiO2(101) surface can be an effective biocompatible substrate in benthic MFCs by enabling the surface O to form more hydrogen bonds with the hydroxyl H of the biomolecule.
Publication Year
2014
Publisher
Royal Society of Chemistry
Referreed
1
DOI
10.1039/c4cp01891e
Citation Information
Yan-Ling Zhao, Cui-Hong Wang, Ying Zhai, Rui-Qin Zhang, et al.. "Selective adsorption of L-serine functional groups on the anatase TiO2(101) surface in benthic microbial fuel cells" Physical Chemistry Chemical Physics Vol. 16 Iss. 38 (2014) p. 20806 - 20817 ISSN: 14639084
Available at: http://works.bepress.com/mavanhove/36/