Collaborative Research: Dinuclear Heterogeneous Catalysts (DHCs) as a new Platform for Selective Oxidation of Carbon Monoxide (CO) and Methane (CH4)

催化剂是一种能够提高化学反应速度而自身不会被消耗的物质，在支撑我们经济的大规模化学过程中发挥着关键作用。一个例子是天然气的重整，其中催化剂将甲烷转化为氢气和一氧化碳（CO）。氢可以很容易地用作清洁能源。CO可以作为合成有价值的化学品如甲醇和乙酸的起始材料。然而，当前天然气重整工艺提出的关键挑战是它们通常是能量密集型的。解决这种低效率的关键是通过新的催化剂设计。在化学系化学催化项目的资助下，波士顿学院的王博士、耶鲁大学的巴蒂斯塔博士和布鲁德维格博士以及加州大学的潘博士正在研究一种有潜力迎接这一挑战的新型催化剂。具有精确设计和定义的结构，催化剂正在研究两个原型反应，一氧化碳氧化和甲烷活化。为了扩大该项目的影响，正在开展协调一致的教育和外联活动。这些方案涉及来自不同背景的参与者，特别是那些代表性不足的少数民族。本计画由化学系化学催化计画资助，研究新型的双核多相催化剂（DHCs），用于CO和甲烷（CH 4）的选择性氧化。DHCs属于以原子分散基序为特征的新兴类别的非均相催化剂。它们为化学转化提供了新的性质。来自波士顿学院的Wang博士、耶鲁大学的Batista和Brudvig博士以及来自加州大学欧文分校的Pan博士利用他们在催化剂设计、合成、表征和反应机理方面的互补专业知识。他们合作测试的假设，DHCs是更有效的反应，如选择性CO氧化和CH 4活化，比传统的催化剂或最近表征的单原子催化剂。这项研究是独特的，因为它探讨了参与非均相催化剂与双核活性中心，其催化核心是明确的。研究活动与旨在促进代表性不足的群体、K-12学生、公众以及本科研究人员的科学研究的教育努力相辅相成。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。

Catalysts, substances that increase the speed of chemical reactions without themselves being consumed, play critical roles in large-scale chemical processes that underpin our economy. One example is found in the reforming of natural gas, where catalysts convert methane to hydrogen and carbon monoxide (CO). Hydrogen can be readily used as a source of clean energy. CO can serve as a starting material for the synthesis of valuable chemicals such as methanol and acetic acid. A critical challenge presented by the current natural gas reforming processes, however, is that they are often energy intensive. The key to addressing this inefficiency is through novel catalyst designs. With funding from the Chemical Catalysis Program of the Division of Chemistry, Dr. Wang of Boston College, Drs. Batista and Brudvig of Yale University, and Dr. Pan of the University of California, Irvine are investigating a new type of catalyst that has the potential to meet this challenge. Featuring precisely designed and defined structures, the catalysts are being studied for two prototypical reactions, carbon monoxide oxidation and methane activation. In an effort to broaden the impacts of the project, concerted educational and outreach activities are being carried out. These programs involve participants from diverse backgrounds, especially those of underrepresented minorities. With funding from the Chemical Catalysis Program of the Division of Chemistry, this project studies new class of catalysts, dinuclear heterogeneous catalysts (DHCs), for selective oxidation of CO and methane (CH4). DHCs belong to the emerging class of heterogeneous catalysts featuring atomically dispersed motifs. They offer new properties for chemical transformations. Dr. Wang from Boston College, Drs. Batista and Brudvig from Yale University, and Dr. Pan from the University of California, Irvine leverage their complementary expertise in catalyst design, synthesis, characterization, and reaction mechanisms. They collaborate to test the hypothesis that DHCs are more effective toward reactions such as selective CO oxidation and CH4 activation, than conventional catalysts or the recently characterized single-atom catalysts. The study is unique as it examines the involvement of heterogeneous catalysts with dinuclear active centers whose catalytic core is well defined. The research activities are complemented by educational efforts aimed at promoting scientific research by underrepresented groups, K-12 students, and the general public as well as undergraduate researchers.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.