Bifunctional Catalysts for Selective Hydrogenation of Biomass Derivatives: Furfural Hydrogenation over Pt-Sn Supported on Titania

将生物质化学转化为燃料是一个提供可再生能源、减少对化石燃料依赖并为农产品和生物产品提供新市场的过程。生物质重整的主要挑战是去除氧气，这降低了生物质衍生物的长期稳定性。 需要新的催化剂来促进生物质转化为可用的燃料以及高价值的化学品。在这个研究项目中，Donna A.博士。南卡罗来纳州大学的Chen博士和德克萨斯大学奥斯汀分校的Graeme Henkelman博士正在研究由两种不同金属组成的催化剂，这些催化剂针对与生物质衍生物中不同官能团相关的特定化学反应。 这两名研究人员还从事推广活动，促进各级学生的科学教育和培训。 陈博士与当地小学合作，正在开发直接适合学生科学课程的动手化学教程和演示。 Henkelman博士领导了一项倡议，该倡议招募大一学生参加积极的研究项目，并针对来自历史上在科学领域代表性不足的背景的学生。在化学部化学催化项目的资助下，Donna A.来自南卡罗来纳州大学的Chen和来自德克萨斯大学奥斯汀分校的Graeme Henkelman博士开发了用于转化来自纤维素生物质重整的高度官能化分子的选择性催化剂。研究了氧化物负载的糠醛催化剂如Pt-Sn用于糠醛的选择性加氢，以用于随后的粘合剂、水泥和涂料的生产。Pt-Sn表面的双功能性质应允许C = O键以高活性选择性氢化，同时抑制其它氢化途径。另一方面，Pt和氧化物载体之间的强相互作用预期改善选择性并防止碳结垢。Chen博士研究了在超高真空（UHV）中制备的模型、轮廓分明的Pt-Sn/二氧化钛表面。这些模型表面的特点是使用各种表面科学技术。催化活性的研究是在一个微型反应器直接耦合到超高真空室。Henkelman博士使用密度泛函理论对支持的纳米粒子进行建模，以了解活性、选择性和稳定性，并预测哪些纳米粒子组合有望表现出理想的特性。该奖项反映了NSF的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

The chemical transformation of biomass into fuels is a process that provides a renewable source of energy, decreases dependence on fossil fuels, and provides new markets for agricultural products and bioproducts. A major challenge in the reforming of biomass is the removal of oxygen, which decreases the long-term stability of biomass derivatives. New catalysts are needed to facilitate the conversion of biomass into useable fuels, as well as high-value chemicals. In this research project, Dr. Donna A. Chen of the University of South Carolina and Dr. Graeme Henkelman of the University of Texas at Austin are studying catalysts composed of two different metals that target specific chemical reactions associated with the different functional groups in biomass derivatives. Both researchers are also engaged in outreach activities that promote the scientific education and training of students of all levels. In conjunction with local elementary schools, Dr. Chen is developing hands-on chemistry tutorials and demonstrations that fit directly into the students' science curriculum. Dr. Henkelman leads an initiative that recruits freshman college students into active research programs and targets students who are from backgrounds that are historically underrepresented in science. With funding from the Chemical Catalysis Program of the Chemistry Division, Dr. Donna A. Chen from the University of South Carolina and Dr. Graeme Henkelman from the University of Texas at Austin develop selective catalysts for the conversion of highly functionalized molecules derived from cellulosic biomass reforming. Oxide-supported bimetallic catalysts such as Pt-Sn are investigated for the selective hydrogenation of furfural for the subsequent production of adhesives, cements, and coatings. The bifunctional nature of the Pt-Sn surfaces should allow selective hydrogenation of the C=O bond with high activity while inhibiting other hydrogenation pathways. On the other hand, strong interactions between Pt and the oxide support are expected to improve selectivity and prevent carbon fouling. Dr. Chen studies model, well-defined Pt-Sn/titania surfaces prepared in ultrahigh vacuum (UHV). These model surfaces are characterized using a variety of surface science techniques. Catalytic activity studies are conducted in a microreactor directly coupled to the UHV chamber. Dr. Henkelman models the supported bimetallic particles using density functional theory to understand activity, selectively and stability, and to predict which bimetallic combinations are expected to exhibit desirable properties.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.