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WO3(001)表面活性氧物种的理论研究 被引量:1
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作者 金华 《原子与分子物理学报》 CAS 北大核心 2019年第6期921-926,共6页
采用第一性原理结合周期性平板模型的方法,对O 2在完整和缺陷WO 3(001)表面的吸附行为进行了研究.结果表明:WO 3(001)完整表面上吸附态的O 2不易成为表面氧化反应的活性氧物种,当吸附质与表面作用时,将优先与表面晶格氧(O t)成键,进而... 采用第一性原理结合周期性平板模型的方法,对O 2在完整和缺陷WO 3(001)表面的吸附行为进行了研究.结果表明:WO 3(001)完整表面上吸附态的O 2不易成为表面氧化反应的活性氧物种,当吸附质与表面作用时,将优先与表面晶格氧(O t)成键,进而形成表面缺陷态,体系呈现金属性,电导率增大.比较O 2在缺陷表面上各吸附构型的吸附能发现,O 2的吸附倾向于发生在缺陷位置(W v)上,且表现为氧气分子中的两个氧原子均与缺陷位W v作用,形成新的活性氧物种(O 2-);吸附后表面被氧化,电导率降低. 展开更多
关键词 wo3表面 氧物种 吸附 表面 缺陷
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Novel synthetic route to Ce-Cu-W-O microspheres for efficient catalytic oxidation of vinyl chloride emissions
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作者 Xiaoshan Feng Yingbin Zheng +6 位作者 Daifeng Lin Enhui Wu Yongjin Luo Yufeng You Hun Xue Qingrong Qian Qinghua Chen 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2020年第12期1864-1872,共9页
The solubility of ammonium tungstate in a special hydrothermal condition is exploited to synthesize uniform microspheres of Ce-Cu-W-O oxides.Compared to their W-undoped counterparts,they possess more Ce^3+ and oxygen ... The solubility of ammonium tungstate in a special hydrothermal condition is exploited to synthesize uniform microspheres of Ce-Cu-W-O oxides.Compared to their W-undoped counterparts,they possess more Ce^3+ and oxygen vacancies,thereby promoting oxygen mobility.The formed rich WO3 surface can effectively provide acid sites,which is helpful for adsorption of vinyl chloride and interrupting the C-Cl bond.In addition,the presence of WO3 induces the formation of finer CuO nanoparticles with respect to the traditional coprecipitation method,thereby resulting in a better reducibility.Benefiting from both the enhanced acidity and reducibility,the Ce-Cu-W-O microspheres deliver excellent low-temperature vinyl chloride oxidation activity(a reaction rate of 2.01×10^-7 mol/(gcat·s)at 250℃)and high HCl selectivity.Moreover,subtle deactivation occurs after the three cycling activity tests,and a stable vinyl chloride conversion as well as mineralization are observed during the 72-h durability test at 300℃,which demonstrates good thermal stability.Our strategy can provide new insights into the design and synthesis of metal oxides for catalytic oxidation of chlorinated volatile organic compounds. 展开更多
关键词 Catalytic vinyl chloride oxidation Ce-Cu-W-O microspheres Solubility of ammonium tungstate Rich surface wo3 Fine CuO nanoparticles
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