Electronic Structure and Interface Energetics of CuBi2O4 Photoelectrodes

电子结构 X射线吸收光谱法 费米能级 带隙 材料科学 密度泛函理论 光电发射光谱学 电离能 吸收光谱法 电子能带结构 X射线光电子能谱 吸收(声学) 化学 凝聚态物理 电离 光电子学 计算化学 电子 离子 光学 物理 量子力学 复合材料 有机化学 核磁共振
作者
Freddy E. Oropeza,Nelson Y. Dzade,Amalia Pons-Martí,Zhenni Yang,Kelvin H. L. Zhang,Nora H. de Leeuw,Emiel J. M. Hensen,Jan P. Hofmann
出处
期刊:Journal of Physical Chemistry C [American Chemical Society]
卷期号:124 (41): 22416-22425 被引量:35
标识
DOI:10.1021/acs.jpcc.0c08455
摘要

CuBi2O4 exhibits significant potential for the photoelectrochemical (PEC) conversion of solar energy into chemical fuels, owing to its extended visible-light absorption and positive flat band potential vs the reversible hydrogen electrode. A detailed understanding of the fundamental electronic structure and its correlation with PEC activity is of significant importance to address limiting factors, such as poor charge carrier mobility and stability under PEC conditions. In this study, the electronic structure of CuBi2O4 has been studied by a combination of hard X-ray photoemission spectroscopy, resonant photoemission spectroscopy, and X-ray absorption spectroscopy (XAS) and compared with density functional theory (DFT) calculations. The photoemission study indicates that there is a strong Bi 6s–O 2p hybrid electronic state at 2.3 eV below the Fermi level, whereas the valence band maximum (VBM) has a predominant Cu 3d–O 2p hybrid character. XAS at the O K-edge supported by DFT calculations provides a good description of the conduction band, indicating that the conduction band minimum is composed of unoccupied Cu 3d–O 2p states. The combined experimental and theoretical results suggest that the low charge carrier mobility for CuBi2O4 derives from an intrinsic charge localization at the VBM. Also, the low-energy visible-light absorption in CuBi2O4 may result from a direct but forbidden Cu d–d electronic transition, leading to a low absorption coefficient. Additionally, the ionization potential of CuBi2O4 is higher than that of the related binary oxide CuO or that of NiO, which is commonly used as a hole transport/extraction layer in photoelectrodes. This work provides a solid electronic basis for topical materials science approaches to increase the charge transport and improve the photoelectrochemical properties of CuBi2O4-based photoelectrodes.

科研通智能强力驱动
Strongly Powered by AbleSci AI
更新
PDF的下载单位、IP信息已删除 (2025-6-4)

科研通是完全免费的文献互助平台,具备全网最快的应助速度,最高的求助完成率。 对每一个文献求助,科研通都将尽心尽力,给求助人一个满意的交代。
实时播报
刚刚
老迟到的金鱼应助霍师傅采纳,获得40
刚刚
搬砖完成签到,获得积分10
刚刚
1秒前
1秒前
臧晓蕾完成签到,获得积分20
1秒前
CodeCraft应助喵喵怕恰兔采纳,获得30
1秒前
Orange应助chengzhenfa采纳,获得10
1秒前
1秒前
lym97完成签到 ,获得积分10
2秒前
土土发布了新的文献求助10
2秒前
是小王ya完成签到,获得积分10
2秒前
2秒前
核桃发布了新的文献求助10
2秒前
Drew发布了新的文献求助10
2秒前
3秒前
徐淇淇完成签到,获得积分10
3秒前
3秒前
4秒前
alwry发布了新的文献求助10
5秒前
5秒前
wang发布了新的文献求助10
6秒前
南巷完成签到,获得积分10
6秒前
天真有邪完成签到,获得积分10
6秒前
6秒前
renj发布了新的文献求助10
7秒前
7秒前
zho发布了新的文献求助10
7秒前
小二郎应助怕孤独的云朵采纳,获得10
8秒前
科学宇宙发布了新的文献求助10
8秒前
8秒前
曾无忧发布了新的文献求助10
8秒前
FashionBoy应助123采纳,获得10
9秒前
蠢狗发布了新的文献求助10
9秒前
9秒前
zyerl完成签到,获得积分20
9秒前
打打应助xxxllllll采纳,获得10
10秒前
自然1111发布了新的文献求助10
10秒前
11秒前
11秒前
高分求助中
Picture Books with Same-sex Parented Families: Unintentional Censorship 700
ACSM’s Guidelines for Exercise Testing and Prescription, 12th edition 500
Nucleophilic substitution in azasydnone-modified dinitroanisoles 500
不知道标题是什么 500
Indomethacinのヒトにおける経皮吸収 400
Phylogenetic study of the order Polydesmida (Myriapoda: Diplopoda) 370
Effective Learning and Mental Wellbeing 300
热门求助领域 (近24小时)
化学 材料科学 医学 生物 工程类 有机化学 生物化学 物理 内科学 纳米技术 计算机科学 化学工程 复合材料 遗传学 基因 物理化学 催化作用 冶金 细胞生物学 免疫学
热门帖子
关注 科研通微信公众号,转发送积分 3974559
求助须知:如何正确求助?哪些是违规求助? 3518949
关于积分的说明 11196503
捐赠科研通 3255066
什么是DOI,文献DOI怎么找? 1797673
邀请新用户注册赠送积分活动 877076
科研通“疑难数据库(出版商)”最低求助积分说明 806130