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Engineering Crystal Facet of α-MnO2 Nanowire for Highly Efficient Catalytic Oxidation of Carcinogenic Airborne Formaldehyde
ACS Catalysis ( IF 11.3 ) Pub Date : 2018-03-14 00:00:00 , DOI: 10.1021/acscatal.8b00456 Shaopeng Rong 1, 2 , Pengyi Zhang 1, 2 , Fang Liu 1 , Yajie Yang 1
ACS Catalysis ( IF 11.3 ) Pub Date : 2018-03-14 00:00:00 , DOI: 10.1021/acscatal.8b00456 Shaopeng Rong 1, 2 , Pengyi Zhang 1, 2 , Fang Liu 1 , Yajie Yang 1
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The activity of exposed crystal facets directly determines its physicochemical properties. Thus, acquiring a high percentage of reactive facets by crystal facet engineering is highly desirable for improving the catalytic reactivity. Herein, single-crystalline α-MnO2 nanowires with major exposed high-index {310} facets were synthesized via a facile hydrothermal route with the assistance of a capping agent of oxalate ions. Comparing with two other low-index facets ({100} and {110}), the resulting α-MnO2 nanowires with exposed {310} facets exhibited much better activity and stability for carcinogenic formaldehyde (HCHO) oxidation, making 100% of 100 ppm of HCHO mineralize into CO2 at 60 °C, even better than some Ag supported catalysts. The density functional theory (DFT) calculations were used to investigate the difference in the catalytic activity of α-MnO2 with exposed {100}, {110}, and {310} facets. The experimental characterization and theoretical calculations all confirm that the {310} facets with high surface energy can not only facilitate adsorption/activation of O2 and H2O but also be beneficial to the generation of oxygen vacancies, which result in significantly enhanced activity for HCHO oxidation. This is a valuable report on engineering surface facets in the preparation of α-MnO2 as highly efficient oxidation catalysts. This study deepens the understanding of facet-dependent activity of α-MnO2 and points out a strategy to improve their catalytic activity by crystal facet engineering.
中文翻译：
α-MnO的工程晶面2纳米线为致癌空降甲醛的高效催化氧化
裸露的晶面的活性直接决定其理化性质。因此，非常需要通过晶体刻面工程来获得高百分比的反应性刻面，以改善催化反应性。这里，单晶α-MnO的2纳米线与主要外露高指数{310}面中经由与草酸离子的封端剂的协助一个浅显的水热合成路线合成。与其他两个低指数晶面的比较（{100}和{110}），将得到的α-MnO的2个纳米线暴露{310}面表现出致癌甲醛（HCHO）氧化更好的活性和稳定性，使得100 100％ ppm HCHO矿化成CO 2在60°C的温度下，甚至比某些Ag负载的催化剂还要好。密度泛函理论（DFT）计算被用来研究在α-MnO的催化活性差2露出{100} {310}面，{110}，和。实验表征和理论计算均证实，具有高表面能的{310}刻面不仅可以促进O 2和H 2 O的吸附/活化，而且还有利于氧空位的产生，从而显着增强了氧的空位。 HCHO氧化。这是对在制备α-MnO的工程表面刻面的宝贵报告2作为高效率的氧化催化剂。这项研究加深了对α-MnO的面依赖性活性的认识2指出了通过晶面工程提高其催化活性的策略。
更新日期：2018-03-14
中文翻译：
α-MnO的工程晶面2纳米线为致癌空降甲醛的高效催化氧化
裸露的晶面的活性直接决定其理化性质。因此，非常需要通过晶体刻面工程来获得高百分比的反应性刻面，以改善催化反应性。这里，单晶α-MnO的2纳米线与主要外露高指数{310}面中经由与草酸离子的封端剂的协助一个浅显的水热合成路线合成。与其他两个低指数晶面的比较（{100}和{110}），将得到的α-MnO的2个纳米线暴露{310}面表现出致癌甲醛（HCHO）氧化更好的活性和稳定性，使得100 100％ ppm HCHO矿化成CO 2在60°C的温度下，甚至比某些Ag负载的催化剂还要好。密度泛函理论（DFT）计算被用来研究在α-MnO的催化活性差2露出{100} {310}面，{110}，和。实验表征和理论计算均证实，具有高表面能的{310}刻面不仅可以促进O 2和H 2 O的吸附/活化，而且还有利于氧空位的产生，从而显着增强了氧的空位。 HCHO氧化。这是对在制备α-MnO的工程表面刻面的宝贵报告2作为高效率的氧化催化剂。这项研究加深了对α-MnO的面依赖性活性的认识2指出了通过晶面工程提高其催化活性的策略。
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