Collaborative Research : Bandgap engineered composite oxide nanomaterials (BECONs) for solar energy conversion

[133672]本提案的研究目的是验证一类稳定的多功能带隙工程复合氧化物纳米材料（BECONs）可以用廉价、环保和富含地球的元素构建的假设。这些BECONs将用于光催化，并使新的太阳能驱动的能源生产过程成为可能，从水中生产氢气，从二氧化碳中生产甲烷或甲醇等太阳能燃料。综合理论和实验研究包括研究一个有前途的光活性BECONs模型系统，该系统来自焦绿盐家族（A2B2O7），可以利用可见光驱动水分解反应。以Bi、Ti和Fe为原料的BECON将采用一种新的反胶束法合成。通过合作，将研究这些模型材料的结构-性能关系、多功能性和光催化活性。密度泛函理论研究将有助于解释实验数据和驱动材料设计。这一提议的几个特点是独一无二的，可能会带来变革性的结果。首先，太阳能驱动过程的限制之一是利用整个光谱产生光催化和能量的能力。为此，人们一直在寻找具有合适带隙的新材料。pi已经获得了一些令人鼓舞的初步数据，这些数据支持BECONS将可见光而不仅仅是紫外线转化为能源服务的潜力。此外，非外来元素的使用也符合当前材料搜索的方向。最后，协同工作将建模工作的预测结果与实验综合和测试工作结合起来。该提案的教育/推广目标包括一个新的本科课程，该课程整合了研究计划的内容，以教授光电化学概念；为本科生和研究生筛选太阳能转换应用的光活性材料的工具包；使用特别制作的示范套，在本地学校进行科学示范；协调并继续为可持续能源论坛提供建议，这是一个受欢迎的学生组织，由UNR-PI在内华达大学里诺分校构想和建立，重点关注替代能源的认识。联合国研究计划署的个人意见以前也提出过这一基本想法，但没有获得奖励，尽管每次评价都有所改进。他根据审稿人的意见进行了修改，并与PD讨论了如何提高他的提案机会。其中一个回应是增加一个在项目计算方面有技能的合作者。这个想法很有趣，结果可能很重要，这种合作似乎是合理可行的。有更多的高度推荐比我能够资助。在EPSCoR资金的帮助下，我能够超越必须资金的清单，并支持一个应该基金，这是该计划努力支持可再生能源催化项目的一部分。这项拟议的工作将对太阳能驱动过程的科学和技术方面产生影响，以促进可见光的有效收集，以提供光催化太阳能辅助燃料生产。

1133672HudaThe research objective of this proposal is to test the hypothesis that a class of stable multi-functional bandgap-engineered composite oxide nanomaterials (BECONs) can be constructed with inexpensive, eco-friendly, and earth abundant elements. These BECONs will be used in photocatalysis and enable new solar-driven processes for energy generation, producing solar fuels such as hydrogen from water and methane or methanol from CO2. The integrated theoretical and experimental research involves studying a promising model system of photoactive BECONs from the pyrochlore family (A2B2O7) that drive water-splitting reactions using visible light. BECON using Bi, Ti, and Fe will be synthesized using a novel reverse micelle method. Through the collaboration, the structure-property-relationships, multi-functionality, and photocatalytic activity of these model materials will be investigated. Density functional theory studies will help interpret experimental data and drive materials design. Several features of this proposal are unique and may offer transformative outcomes. First, one of the limits in solar energy driven processes is the ability to use the entire spectrum of light to produce photocatalysis and energy. New materials with suitable bandgaps are always being sought for this use. The PIs have already some encouraging preliminary data which supports the potential of BECONS to convert visible light and not just the ultraviolet light to energy service. In addition the use of non-exotic elements is in line with the current direction for the material search. Finally the collaborative efforts marry the predictions resulting from the modeling work with the experimental synthesis and testing work. The educational/outreach objectives of the proposal include a new undergraduate course that integrates content from the research program to teach photoelectrochemistry concepts; a toolkit for screening photoactive materials for solar energy conversion applications for undergraduate and graduate student use; to conduct science demonstrations in local schools using speciallyprepared demonstration kits; and to coordinate and continue advising the sustainable energy forum, a popular student organization that the UNR-PI has conceived and established at University of Nevada, Reno, that focuses on awareness about alternate energy. This PI from UNR has submitted this basic idea before with no award success, albeit with improved evaluations each time. He has made changes in response to reviewer comments, and has discussed how to improve his proposal chances with the PD. One of the responses was to add a collaborator with skills in the computational side of the project. The idea is interesting, the results could be significant, the collaboration seems sound and workable. There are a greater number of Highly Recommended than I am able to fund. With the assistance of EPSCoR funding, I am able to stretch beyond the list of must-funds and support a should-fund which is a part of the Program efforts at supporting catalytic programs in renewable energy. This proposed work will have an impact on scientific and technological aspects of solar driven processes to facilitate efficient harvesting of visible light to deliver photocatalytic solar energy assisted fuel production.