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WO3/BiVO4 Photoanodes: Facets Matching at the Heterojunction and BiVO4 Layer Thickness Effects
ACS Applied Energy Materials ( IF 5.4 ) Pub Date : 2021-08-12 , DOI: 10.1021/acsaem.1c01623
Ivan Grigioni 1 , Giovanni Di Liberto 2 , Maria Vittoria Dozzi 1 , Sergio Tosoni 2 , Gianfranco Pacchioni 2 , Elena Selli 1
ACS Applied Energy Materials ( IF 5.4 ) Pub Date : 2021-08-12 , DOI: 10.1021/acsaem.1c01623
Ivan Grigioni 1 , Giovanni Di Liberto 2 , Maria Vittoria Dozzi 1 , Sergio Tosoni 2 , Gianfranco Pacchioni 2 , Elena Selli 1
Affiliation
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Photoelectrochemical solar energy conversion offers a way to directly store light into energy-rich chemicals. Photoanodes based on the WO3/BiVO4 heterojunction are most effective mainly thanks to the efficient separation of photogenerated charges. The WO3/BiVO4 interfacial space region in the heterojunction is investigated here with the increasing thickness of the BiVO4 layer over a WO3 scaffold. On the basis of X-ray diffraction analysis results, density functional theory simulations show a BiVO4 growth over the WO3 layer along the BiVO4 {010} face, driven by the formation of a stable interface with new covalent bonds, with a favorable band alignment and band bending between the two oxides. This crystal facet phase matching allows a smooth transition between the electronic states of the two oxides and may be a key factor ensuring the high efficiency attained with this heterojunction. The photoelectrochemical activity of the WO3/BiVO4 photoanodes depends on both the irradiation wavelength and the thickness of the visible-light-absorbing BiVO4 layer, a 75 nm thick BiVO4 layer on WO3 being best performing.
中文翻译：
WO3/BiVO4 光阳极：异质结处的小平面匹配和 BiVO4 层厚度效应
光电化学太阳能转换提供了一种将光直接存储为富含能量的化学物质的方法。基于WO 3 /BiVO 4异质结的光阳极最有效，这主要归功于光生电荷的有效分离。在此研究异质结中的 WO 3 /BiVO 4界面空间区域，随着 WO 3支架上的 BiVO 4层的厚度增加。上的X射线衍射分析结果的基础上，密度泛函理论仿真显示一个BiVO 4增长在WO 3沿BiVO层4{010} 面，由具有新共价键的稳定界面的形成驱动，两种氧化物之间具有有利的能带排列和能带弯曲。这种晶面相位匹配允许两种氧化物的电子态之间的平滑过渡，并且可能是确保这种异质结获得高效率的关键因素。WO 3 /BiVO 4 光阳极的光电化学活性取决于照射波长和吸收可见光的BiVO 4层的厚度，WO 3上75nm厚的BiVO 4层表现最佳。
更新日期：2021-08-23
中文翻译：
WO3/BiVO4 光阳极：异质结处的小平面匹配和 BiVO4 层厚度效应
光电化学太阳能转换提供了一种将光直接存储为富含能量的化学物质的方法。基于WO 3 /BiVO 4异质结的光阳极最有效，这主要归功于光生电荷的有效分离。在此研究异质结中的 WO 3 /BiVO 4界面空间区域，随着 WO 3支架上的 BiVO 4层的厚度增加。上的X射线衍射分析结果的基础上，密度泛函理论仿真显示一个BiVO 4增长在WO 3沿BiVO层4{010} 面，由具有新共价键的稳定界面的形成驱动，两种氧化物之间具有有利的能带排列和能带弯曲。这种晶面相位匹配允许两种氧化物的电子态之间的平滑过渡，并且可能是确保这种异质结获得高效率的关键因素。WO 3 /BiVO 4 光阳极的光电化学活性取决于照射波长和吸收可见光的BiVO 4层的厚度，WO 3上75nm厚的BiVO 4层表现最佳。
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