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Undercoordinated Site-Abundant and Tensile-Strained Nickel for Low-Temperature COx Methanation
ACS Catalysis ( IF 11.3 ) Pub Date : 2018-01-17 00:00:00 , DOI: 10.1021/acscatal.7b02944 Hao Wang 1 , Ke Xu 1, 2 , Xuanyu Yao 1 , Danhong Ye 3 , Yan Pei 1 , Huarong Hu 3 , Minghua Qiao 1 , Zhen Hua Li 1 , Xiaoxin Zhang 2 , Baoning Zong 2
ACS Catalysis ( IF 11.3 ) Pub Date : 2018-01-17 00:00:00 , DOI: 10.1021/acscatal.7b02944 Hao Wang 1 , Ke Xu 1, 2 , Xuanyu Yao 1 , Danhong Ye 3 , Yan Pei 1 , Huarong Hu 3 , Minghua Qiao 1 , Zhen Hua Li 1 , Xiaoxin Zhang 2 , Baoning Zong 2
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By means of the rapid quenching (RQ) technique, we fabricate RQ Ni with peculiar undercoordinated site (UCS) abundant and tensile-strained structural characteristics. In liquid-phase CO methanation at 473 K, RQ Ni displays markedly higher specific activity and CH4 selectivity in comparison to Raney Ni, supported Ni, and Al2O3-supported Pd and Pt. RQ Ni shows comparable activity but higher CH4 selectivity in comparison to Ru/Al2O3, with Ru being documented as the most active metal for CO methanation. Density functional theory (DFT) calculations confirm that the UCSs are the active centers and reveal that the tensile-strain effect can further accelerate the rate-limiting CO dissociation step. Attractively, RQ Ni is also powerful in converting the greenhouse gas CO2 to CH4 at 473 K with an unprecedentedly high TOF of CO2 of 86.9 × 10–3 s–1 and impressively high selectivity of >99%.
中文翻译：
用于低温CO x甲烷化的不充分位点和拉伸应变的镍
借助快速淬火（RQ）技术，我们制造出具有独特的欠配位点（UCS）丰富且具有拉伸应变结构特征的RQ Ni。在473 K的液相CO甲烷化中，与阮内镍，负载的Ni和Al 2 O 3负载的Pd和Pt相比，RQ Ni显示出明显更高的比活和CH 4选择性。与Ru / Al 2 O 3相比，RQ Ni显示出可比的活性，但具有更高的CH 4选择性，Ru被证明是用于CO甲烷化的活性最高的金属。密度泛函理论（DFT）的计算证实了UCS是活性中心，并揭示了拉伸应变效应可以进一步加速限速CO的解离步骤。漂亮，RQ的Ni也是温室气体CO转化强大2至CH 4在473K与CO的空前高TOF 2 86.9×10 -3小号-1和> 99％的令人印象深刻的高选择性。
更新日期：2018-01-17
中文翻译：
用于低温CO x甲烷化的不充分位点和拉伸应变的镍
借助快速淬火（RQ）技术，我们制造出具有独特的欠配位点（UCS）丰富且具有拉伸应变结构特征的RQ Ni。在473 K的液相CO甲烷化中，与阮内镍，负载的Ni和Al 2 O 3负载的Pd和Pt相比，RQ Ni显示出明显更高的比活和CH 4选择性。与Ru / Al 2 O 3相比，RQ Ni显示出可比的活性，但具有更高的CH 4选择性，Ru被证明是用于CO甲烷化的活性最高的金属。密度泛函理论（DFT）的计算证实了UCS是活性中心，并揭示了拉伸应变效应可以进一步加速限速CO的解离步骤。漂亮，RQ的Ni也是温室气体CO转化强大2至CH 4在473K与CO的空前高TOF 2 86.9×10 -3小号-1和> 99％的令人印象深刻的高选择性。
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