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Parallelized Screening of Characterized and DFT-Modeled Bimetallic Colloidal Cocatalysts for Photocatalytic Hydrogen Evolution
ACS Catalysis ( IF 11.3 ) Pub Date : 2020-03-20 , DOI: 10.1021/acscatal.9b05404 Eric M. Lopato 1 , Emily A. Eikey 2 , Zoe C. Simon 2 , Seoin Back 3 , Kevin Tran 4 , Jacqueline Lewis 1 , Jakub F. Kowalewski 1 , Sadegh Yazdi 5 , John R. Kitchin 4 , Zachary W. Ulissi 4 , Jill E. Millstone 2 , Stefan Bernhard 1
ACS Catalysis ( IF 11.3 ) Pub Date : 2020-03-20 , DOI: 10.1021/acscatal.9b05404 Eric M. Lopato 1 , Emily A. Eikey 2 , Zoe C. Simon 2 , Seoin Back 3 , Kevin Tran 4 , Jacqueline Lewis 1 , Jakub F. Kowalewski 1 , Sadegh Yazdi 5 , John R. Kitchin 4 , Zachary W. Ulissi 4 , Jill E. Millstone 2 , Stefan Bernhard 1
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Using a newly designed and developed parallelized photoreactor and colorimetric detection method, a large sampling of bimetallic cocatalysts (Pd/Sn, Pd/Mo, Pd/Ru, Pd/Pb, Pd/Ni, Ni/Sn, Mo/Sn, and Pt/Sn) for photocatalytic water reduction have been tested. Of these cocatalysts, the combination of palladium and tin showed the highest synergistic behavior and peak hydrogen gas production at a low relative fraction of palladium. The resulting palladium/tin bimetallic cocatalysts were characterized, and specifically, and scanning transmission electron microscopy energy-dispersive X-ray spectroscopy indicated that palladium and tin elements reside within the same particle. The experimental catalytic activity for the palladium/tin mixture was compared to density functional theory-derived energy values associated with the adsorption of hydrogen onto a surface. This comparison demonstrated that the typical peak found in electrochemical Sabatier volcano plots at ΔGH* = ∼0 eV were replicated in the experimental photocatalytic system with a peak activity observed at ΔGH* = −0.036 eV. Computational confirmation of the results expressed here demonstrates the efficacy of colorimetric detection of hydrogen in parallel and presents a model for increasingly rapid catalyst screening.
中文翻译：
表征和DFT模拟的双金属胶体助催化剂用于光催化氢释放的平行筛选
使用新设计和开发的平行光反应器和比色检测方法，对双金属助催化剂（Pd / Sn，Pd / Mo，Pd / Ru，Pd / Pb，Pd / Ni，Ni / Sn，Mo / Sn和Pt）进行大量采样/ Sn）用于光催化减水。在这些助催化剂中，钯和锡的组合表现出最高的协同行为，并且在相对较低的钯含量下产生峰值氢气。表征了所得的钯/锡双金属助催化剂，并且具体地，扫描透射电子显微镜能量色散X射线光谱法表明钯和锡元素存在于同一颗粒内。将钯/锡混合物的实验催化活性与密度函数理论得出的与氢吸附到表面上相关的能量值进行了比较。该比较表明，在Sabatier电化学火山图中，在Δ处发现了典型峰ģ H * =约0伏特与在ΔG观察到的峰的活性实验的光催化系统被复制H * = -0.036 eV的。在此表示的结果的计算确认证明了比色法并行检测氢气的功效，并提出了一种用于快速筛选催化剂的模型。
更新日期：2020-03-21
中文翻译：
表征和DFT模拟的双金属胶体助催化剂用于光催化氢释放的平行筛选
使用新设计和开发的平行光反应器和比色检测方法，对双金属助催化剂（Pd / Sn，Pd / Mo，Pd / Ru，Pd / Pb，Pd / Ni，Ni / Sn，Mo / Sn和Pt）进行大量采样/ Sn）用于光催化减水。在这些助催化剂中，钯和锡的组合表现出最高的协同行为，并且在相对较低的钯含量下产生峰值氢气。表征了所得的钯/锡双金属助催化剂，并且具体地，扫描透射电子显微镜能量色散X射线光谱法表明钯和锡元素存在于同一颗粒内。将钯/锡混合物的实验催化活性与密度函数理论得出的与氢吸附到表面上相关的能量值进行了比较。该比较表明，在Sabatier电化学火山图中，在Δ处发现了典型峰ģ H * =约0伏特与在ΔG观察到的峰的活性实验的光催化系统被复制H * = -0.036 eV的。在此表示的结果的计算确认证明了比色法并行检测氢气的功效，并提出了一种用于快速筛选催化剂的模型。
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