We perform a joint experimental-theoretical study of the electrochemical oxidation of CO on copper (Cu) under alkaline conditions. Using cyclic voltammetry on Cu single crystal surfaces, we demonstrate that both Cu terraces and steps show CO oxidation activity at potentials just slightly positive (0.03-0.14 V) of the thermodynamic equilibrium potential. The overpotentials are 0.23-0.12 V lower than that of gold (approx. 0.26 V), which up until now has been considered to be the most active catalyst for this process. Our theoretical calculations suggest that Cu's activity arises from the advantageous combination of simultaneous *OH adsorption under CO oxidation potentials and surmountable *CO-*OH coupling barriers. Experimentally observed onset potentials are in agreement with the computed onsets of *OH adsorption. We furthermore show that the onsets of *OH adsorption on steps are more affected by *CO-*OH interactions than on terraces due to a stronger competitive adsorption. Overall, Cu(100) shows the lowest overpotential (0.03 V) of the facets considered.
Selective electrochemical generation of hydrogen peroxide from water oxidation
水是生命之源，是人类生存的根本，但仍有10亿多人无法获得清洁饮用水。目前的水处理技术（例如管道水、处理水）依赖于时间和资源密集型的集中解决方案。在这项工作中，我们提出了一个分散的设备的概念，可以利用阳光分解水为氢和过氧化氢。过氧化氢可以氧化有机物，同时氢气冒泡。在实现该装置时，我们需要一种电催化剂，该电催化剂可以氧化水，同时抑制有害的氧析出并形成过氧化氢。使用密度泛函理论计算，我们表明，吸附的OH $^*$的自由能可以被用作一个描述符，以筛选之间的选择性趋势的2E $^-$水氧化H $_2$ O $_2$和4 E $^-$氧化O $_2$。我们表明，结合氧中间体足够弱的材料，如SnO $_2$，可以激活过氧化氢的演变。我们提出了一个合理的设计原则，在电化学水氧化的选择性，并确定新材料候选人，可以执行H $_2$ O $_2$进化选择性。
Electrochemical Grafting of Naphthylmethyl Radicals to Epitaxial Graphene: A Versatile Platform to Reversibly Engineer the Band Structure and Transport Properties of Graphene
Mechanistic Insights into Enhanced Alkaline Oxygen Evolution on Zn-Al Alloy Electrodes
Bangladesh University of Engineering and Technology（孟加拉国工程与技术大学）；Institute of Energy Research and Development (IERD) Bangladesh Council of Scientific and Industrial Research (BCSIR)（能源研发研究所 孟加拉国科学和工业研究委员会）
Paired Ru-O-Mo ensemble for efficient and stable alkaline hydrogen evolution reaction
碱性介质中的电催化析氢反应是一种很有前途的电化学能量转换方法。钌（Ru）是一种高效的HER催化剂，但由于其表面对H2O的吸附量较低，导致H2O解离过程缓慢，影响了其在碱性HER中的性能。通过简单的热处理工艺制备了具有Ru-O-Mo位的Ru/MoO 2催化剂，并通过透射电子显微镜（TEM）和扩展X射线吸收精细结构（EXAFS）研究了Ru-O-Mo界面的形成。通过傅里叶变换红外光谱（FTIR）和水吸附实验，证明了Ru-O-Mo中心对水的吸附能力是Ru催化剂的10倍。具有Ru-O-Mo位点的催化剂在1 M KOH电解质中在10 mA cm-2下表现出16 mV的最先进的过电位，表明比先前最好的Ru（59 mV）和商业Pt（31 mV）催化剂降低了三倍。我们证明了这些性能的稳定性超过40小时没有下降。这些结果为设计高效稳定的催化剂开辟了一条新的途径。
