Revealing the Electronic Structure and Optical Properties of CuFeO2as a p-Type Oxide Semiconductor

Xu，Haiwan1; Wu，Rui2; Zhang，Jia Ye1,3; Han，Wenqiao3; Chen，Lang3; Liang，Xuan1,4; Haw，Choon Y.4,5; Mazzolini，Piero6; Bierwagen，Oliver6; Qi，Dong Chen7; Zhang，Kelvin H.L.1

2021

10.1021/acsaelm.1c00090

ACS Applied Electronic Materials   影响因子和分区

2637-6113

Delafossite CuFeO2 is a p-type oxide semiconductor with a band gap of ∼1.5 eV, which has attracted great interests for applications in solar energy harvesting and oxide electronics. However, there are still some discrepancies in the literature regarding its fundamental electronic structure and transport properties. In this paper, we use a synergistic combination of resonant photoemission spectroscopy and X-ray absorption spectroscopy to directly study the electronic structure of well-defined CuFeO2 epitaxial thin films. Our detailed study reveals that CuFeO2 has an indirect and d-d forbidden band gap of 1.5 eV. The top of the valence band (VB) of CuFeO2 mainly consists of occupied Fe 3d states hybridized with Cu 3d and O 2p, and the bottom of the conduction band (CB) is primarily made up of unoccupied Fe 3d states. The localized nature of the Fe 3d states at both CB and VB edges would limit the carrier mobility and the dynamics of photoexcited carriers. In addition, Mg doping at Fe sites in CuFeO2 increases the hole carrier concentration and leads to a gradual shift of the Fermi level toward the VB. These insights into its electronic structure are of fundamental importance for rational designing and improving the performance of CuFeO2 as photocatalysts.

delafossite doping electronic structure oxide semiconductor photo-electrochemical water splitting

SCI ; EI

英语

其他

WOS:000645434400032

20211810303308

Carrier concentration ; Electronic structure ; Energy gap ; Energy harvesting ; Hall mobility ; Hole mobility ; Iron ; Optical properties ; Oxide semiconductors ; Photoelectron spectroscopy ; Semiconductor doping ; Solar energy ; X ray absorption spectroscopy

Energy Conversion Issues:525.5 ; Iron:545.1 ; Solar Energy and Phenomena:657.1 ; Electricity: Basic Concepts and Phenomena:701.1 ; Semiconducting Materials:712.1 ; Light/Optics:741.1 ; Atomic and Molecular Physics:931.3 ; Electronic Structure of Solids:933.3

2-s2.0-85105038986

Scopus

1.State Key Laboratory of Physical Chemistry of Solid Surfaces,College of Chemistry and Chemical Engineering,Xiamen University,Xiamen,361005,China
2.Institut für Physik,Johannes Gutenberg-Universität,Mainz,Staudinger Weg 7,55128,Germany
3.Department of Physics,Southern University of Science and Technology,Shenzhen, Guangdong,518055,China
4.School of Energy and Chemical Engineering,Xiamen University Malaysia,Sepang,43900,Malaysia
5.College of Chemistry and Chemical Engineering,Xiamen University,Xiamen,361005,China
6.Paul-Drude-Institut für Festkörperelektronik,Leibniz-Institut im Forschungsverbund Berlin E.V.,Berlin,Hausvogteiplatz 5-7,10117,Germany
7.Centre for Materials Science,School of Chemistry and Physics,Queensland University of Technology,Brisbane,4001,Australia

Xu，Haiwan,Wu，Rui,Zhang，Jia Ye,et al. Revealing the Electronic Structure and Optical Properties of CuFeO2as a p-Type Oxide Semiconductor[J]. ACS Applied Electronic Materials,2021,3:1834-1841.

Xu，Haiwan.,Wu，Rui.,Zhang，Jia Ye.,Han，Wenqiao.,Chen，Lang.,...&Zhang，Kelvin H.L..(2021).Revealing the Electronic Structure and Optical Properties of CuFeO2as a p-Type Oxide Semiconductor.ACS Applied Electronic Materials,3,1834-1841.

Xu，Haiwan,et al."Revealing the Electronic Structure and Optical Properties of CuFeO2as a p-Type Oxide Semiconductor".ACS Applied Electronic Materials 3(2021):1834-1841.