Challenges in band alignment between semiconducting materials:A case of rutile and anatase TiO2

论文摘要

This topical review focuses on the recently active debate on the band alignment between two polymorphs of TiO2,rutile and anatase.A summary is given to the popular methods for measurement and calculation of band alignment between materials.We point out,through examination of recently experimental and theoretical reports,that the outstanding discrepancy in the band alignment between two Ti02 phases is attributed to factors that influence band alignment rather than needs a definite answer of which band alignment is right.According to an important factor,the presence of an interface,a new classification of band alignment is proposed as the coupled and intrinsic band alignments.This classification indeed reveals that the rutile/anatase interface can qualitatively change the type of their band alignment.However,further systematic information of the interface and other factors that influence band alignment will be needed to better understand changes in energy bands of materials.The results obtained from discussion of the band alignment between rutile and anatase may also work for the band alignment between other semiconductors.

论文目录

• 1. Introduction
• 2. Experimental measurements of band alignment
•   2.1. Electrochemical impedance analysis（EIA）measurement
•   2.2. X-ray photoelectron spectroscopy（XPS）measurement
• 3. Theoretical calculations of material band alignments
•   3.1. The method based on the core-level reference
•   3.2. The method on basis of the averaged electrostatic potential
•   3.3. The method on basis of the vacuum level
• 4. Explanation for discrepancy in the band alignment between rutile and anatase
•   4.1. Effect of the dipole layer created by surface adsorption on band alignment
•   4.2. The direct or indirect band gap entering the band alignment
•   4.3. Effect of an interface on band alignment
• 5. Discussion and prospect

文章来源

类型: 期刊论文

作者: Daoyu Zhang,Shuai Dong

来源: Progress in Natural Science:Materials International 2019年03期

年度: 2019

分类: 基础科学,工程科技Ⅰ辑,信息科技

专业: 无机化工,无线电电子学

单位: School of Physics,Southeast University

基金: supported by the National Natural Science Foundation of China (Grant Nos 11834002 and 11674055)

分类号: TN304;TQ134.11

页码: 277-284

总页数: 8

文件大小: 5587K

下载量: 11