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

1133672 Huda该提案的研究目标是测试一类稳定的多功能带隙工程复合氧化物纳米材料（BECON）可以用廉价，环保和地球丰富的元素构建的假设。这些BECON将用于太阳能发电，并实现新的太阳能驱动的能源生产过程，生产太阳能燃料，如从水和甲烷或甲醇从二氧化碳。综合的理论和实验研究涉及研究一个有前途的模型系统的光活性BECON从烧绿石家族（A2 B2 O 7），驱动水裂解反应使用可见光。使用Bi、Ti和Fe的BECON将使用新的反胶束方法合成。通过合作，这些模型材料的结构-性能-关系，多功能性和光催化活性将被研究。密度泛函理论的研究将有助于解释实验数据和驱动材料设计。该提案的几个特点是独特的，可能会带来变革性的成果。首先，太阳能驱动过程的限制之一是使用整个光谱来产生光和能量的能力。对于这种用途，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（而不仅仅是紫外光）转化为能源服务的潜力。此外，使用非外来元素符合当前材料搜索的方向。最后，协作努力将建模工作产生的预测与实验合成和测试工作结合起来。该提案的教育/推广目标包括：开设一门新的本科课程，将研究方案的内容纳入其中，教授光电化学概念;为本科生和研究生提供一套筛选太阳能转换应用光敏材料的工具包;利用专门制作的演示工具包在当地学校进行科学演示;并协调和继续为可持续能源论坛提供咨询，这是一个受欢迎的学生组织，由美国能源部-PI在里诺的内华达州大学构思和建立，重点是对替代能源的认识。这个来自UNR的PI以前提交过这个基本想法，没有获奖，尽管每次都有改进的评估。他根据评审员的意见进行了修改，并与PD讨论了如何提高其提案的机会。其中一个反应是增加一个具有项目计算方面技能的合作者。这个想法很有趣，结果可能很重要，合作似乎是合理和可行的。在EPSCoR资金的帮助下，我能够超越必须基金的名单，并支持一个应该基金，这是该计划支持可再生能源催化计划的一部分。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，以促进有效收集可见光，从而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.