Li Xiaofeng, Liu Xiaohui, Hao Jiamao, Li Lijun, Gao Yanfang, Gu Yousong, Cao Zhenzhu, Liu Jinrong
College of Chemical Engineering, Inner Mongolia University of Technology, Hohhot 010051, People's Republic of China.
School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, People's Republic of China.
ACS Omega. 2022 Jul 7;7(28):24646-24655. doi: 10.1021/acsomega.2c02479. eCollection 2022 Jul 19.
A strong metal-support interaction (SMSI) type catalyst has been synthesized and applied to a molten hydroxide direct carbon fuel cell (MHDCFC) to enhance the reaction activity of the anode carbon fuel through the interaction between the metal Ni and the support CeO. Two catalysts have been prepared by a direct precipitation method (denoted NiO@CeO) and a hydrothermal method (denoted NiO-CeO), which are reduced by H to obtain Ni@CeO and Ni-CeO, respectively. X-ray photoelectron spectroscopy (XPS), Raman, and temperature-programmed hydrogen reduction (H-TPR) analysis results show that there are obvious oxygen vacancies and a Ni-O-Ce interface structure in NiO-CeO and Ni-CeO, which is induced by the interaction between Ni and CeO. The calculation results of current density and power density show that the performance of the MHDCFC is significantly improved in the presence of Ni-CeO. The function fitting curves of the logarithm of the reaction rate constant (ln ) and the reciprocal of the temperature (1/) show that the slope of the curve is decreased significantly after the addition of Ni-CeO. In combination with density functional theory (DFT), the anode carbon reaction path is simulated in the MHDCFC, and the calculation results show that the reaction energy for the anodic carbon to generate carbon dioxide is decreased by 1.03 eV in the presence of Ni-CeO.
一种强金属-载体相互作用（SMSI）型催化剂已被合成，并应用于熔融氢氧化物直接碳燃料电池（MHDCFC），以通过金属Ni与载体CeO之间的相互作用提高阳极碳燃料的反应活性。通过直接沉淀法（记为NiO@CeO）和水热法（记为NiO-CeO）制备了两种催化剂，它们分别用H2还原以获得Ni@CeO和Ni-CeO。X射线光电子能谱（XPS）、拉曼光谱和程序升温氢气还原（H2-TPR）分析结果表明，NiO-CeO和Ni-CeO中存在明显的氧空位和Ni-O-Ce界面结构，这是由Ni与CeO之间的相互作用诱导产生的。电流密度和功率密度的计算结果表明，在存在Ni-CeO的情况下，MHDCFC的性能得到显著改善。反应速率常数的对数（lnk）与温度的倒数（1/T）的函数拟合曲线表明，添加Ni-CeO后曲线的斜率显著降低。结合密度泛函理论（DFT），对MHDCFC中的阳极碳反应路径进行了模拟，计算结果表明，在存在Ni-CeO的情况下，阳极碳生成二氧化碳的反应能降低了1.03 eV。
