Unraveling the Surface Reactivity of Pristine and Ti-Doped Hematite with Water

被引：5
|
作者：
Deleuze, Pierre-Marie [1 ]
Magnan, Helene [2 ]
Barbier, Antoine [2 ]
Silly, Mathieu [3 ]
Domenichini, Bruno [1 ]
Dupont, Celine [1 ]
机构：
[1] Univ Bourgogne Franche Comte, Lab Interdisciplinaire Carnot Bourgogne ICB, UMR 6303 CNRS, F-21078 Dijon, France
[2] Univ Paris Saclay, CEA, CNRS, Serv Phys Etat Condense SPEC, F-91191 Gif Sur Yvette, France
[3] Synchrotron SOLEIL, F-91192 St Aubin, France
来源：
JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2021年 / 12卷 / 47期
关键词：
TOTAL-ENERGY CALCULATIONS; OXIDATION; ALPHA-FE2O3(0001); PHOTOOXIDATION; PHOTOANODES; ADSORPTION; STABILITY; LAYER; FILMS; OXIDE;
D O I：
10.1021/acs.jpclett.1c03029
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Water adsorption and dissociation on undoped and Ti-doped hematite thin films were investigated using near-ambient pressure photoemission and DFT calculations. A fine understanding of doping effects is of prime importance in the framework of photoanode efficiency in aqueous conditions. By comparison to pure Fe2O3 surface, the Ti(2%)-Fe2O3 surface shows a lower hydroxylation level. We demonstrate that titanium induces wide structural modifications of the surface, preventing it from reaching full hydroxylation.
引用
收藏
页码：11520 / 11527
页数：8
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