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Methods for Defect Manipulation in Semiconducting Oxides

半导体氧化物缺陷处理方法

基本信息

批准号：
1306822
负责人：
Edmund Seebauer
金额：
$ 60万
依托单位：
University of Illinois at Urbana-Champaign
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2013
资助国家：
美国
起止时间：
2013-08-01 至 2018-07-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1306822&HistoricalAwards=false
关键词：
Methods Defect Manipulation Semiconducting Oxides

项目摘要

NON-TECHNICAL DESCRIPTION: The technologically useful properties of a ceramic material often depend upon the atomic defects contained in its crystalline structure. The present work seeks to further develop methods to control the concentration and movement of atomic defects in semiconducting ceramics such as titanium dioxide and zinc oxide. The methods are based upon manipulation of chemical bonds at the material surface or illumination by ultraviolet light. Control via these methods opens new possibilities for manipulating oxide defects in numerous applications. As specific examples, such control improves the properties of titanium dioxide as a photocatalyst for environmental water remediation and hydrogen production for renewable energy by water splitting, and as a component of catalysts for a wide variety of high-volume chemical production processes. The use of defect-manipulated catalysts to accelerate chemical reactions and to provide routes to new chemical products could further strengthen the competitive edge of the US chemical industry. Uses for high quality zinc oxide include transparent conducting electrodes for solar cells to produce renewable energy, and inexpensive green-blue optical emitters for consumer electronic devices.TECHNICAL DETAILS: This research project uses a combination of experiments and computations to quantify and model the mechanisms for surface-based defect manipulation in single-crystal titanium dioxide and zinc oxide, and to exploit those discoveries more fully in the synthesis of defect-engineered polycrystalline titanium dioxide for thin-film applications. Experiments with single crystals focus upon the measurement of oxygen diffusion as a marker for atomic defect behavior. Parallel experiments on thin films involve carefully controlled deposition of titanium dioxide by atomic layer techniques, followed by heating in controlled atmospheres of specific chemical composition, in some cases under ultraviolet photostimulation. Computations that support all this work entail refinement of a mathematical simulator software package for modeling defect behavior in titanium dioxide and zinc oxide based upon both experimental findings as well as quantum calculations that give atomic-scale insights. In addition to a graduate student, a substantial number of undergraduate researchers are involved directly in the research, providing important skills training in materials synthesis and characterization as well as chemical reaction measurements. This research is taking place in parallel with development of an industry-supported laboratory course for upper-division undergraduates and graduate students called "Chemistry and Transport in Semiconductor Materials Synthesis." In addition, several activities to promote the importance of ethics in science and engineering are being pursued.

非技术描述：陶瓷材料的技术有用性能通常取决于其晶体结构中包含的原子缺陷。目前的工作旨在进一步开发控制半导体陶瓷如二氧化钛和氧化锌中原子缺陷的浓度和运动的方法。这些方法基于对材料表面化学键的操纵或紫外光照射。通过这些方法进行控制，为在许多应用中操纵氧化物缺陷开辟了新的可能性。作为具体实例，这种控制改善了二氧化钛作为用于环境水修复和通过水分解用于可再生能源的氢生产的光催化剂以及作为用于各种各样的大容量化学生产过程的催化剂的组分的性质。使用缺陷控制催化剂来加速化学反应并提供新化学产品的路线可以进一步加强美国化学工业的竞争优势。高品质氧化锌的用途包括用于太阳能电池的透明导电电极，以产生可再生能源，以及用于消费电子设备的廉价绿-蓝光发射器。本研究项目采用实验和计算相结合的方法，对单晶二氧化钛和氧化锌中基于表面的缺陷操纵机制进行量化和建模，并在用于薄膜应用的缺陷工程多晶二氧化钛的合成中更充分地利用这些发现。单晶体实验的重点是测量氧扩散作为原子缺陷行为的标志。薄膜的平行实验涉及通过原子层技术仔细控制二氧化钛的沉积，然后在特定化学成分的受控气氛中加热，在某些情况下在紫外光刺激下。支持所有这些工作的计算需要改进的数学模拟器软件包，用于基于实验结果以及量子计算，给出原子尺度的见解，对二氧化钛和氧化锌中的缺陷行为进行建模。除了一名研究生外，还有大量的本科生研究人员直接参与研究，提供材料合成和表征以及化学反应测量方面的重要技能培训。这项研究正在进行的同时，为高年级的本科生和研究生开发了一门由行业支持的实验室课程，名为“半导体材料合成中的化学和传输”。“此外，正在开展若干活动，宣传科学和工程中道德的重要性。