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A general doping rule: rational design of Ir-doped catalysts for the oxygen evolution reaction
Chemical Communications ( IF 4.3 ) Pub Date : 2020-11-13 , DOI: 10.1039/d0cc06282k
Chuan Zhou 1, 2, 3, 4, 5 , Haiyang Yuan 1, 2, 3, 4, 5 , P. Hu 1, 2, 3, 4, 5 , Haifeng Wang 1, 2, 3, 4, 5
Affiliation  

Revealing how to rationally select a suitable dopant or the host counterpart is greatly important for optimizing the catalytic activity of transition metal oxides (TMOs). We systematically report the adsorption trends of atomic O and H, two selected representative adsorbates, on numerous doped rutile-type TMO surfaces under two different doping modes, aiming to demonstrate adsorption energy (AE) variations of different adsorbates across doped TMO surfaces. A “host–guest interaction” induced adsorption tuning rule for the ternary doping systems is identified, which rationally directs the proposal of cost-effective Ir-doped CrO2 or MnO2 catalysts for the electrocatalytic oxygen evolution reaction compared with the common IrO2.

中文翻译:

一般的掺杂规则:为氧气析出反应而设计的Ir掺杂催化剂的合理设计

揭示如何合理地选择合适的掺杂剂或主体对应物对于优化过渡金属氧化物(TMO)的催化活性非常重要。我们系统地报告了在两种不同的掺杂模式下,原子O和H(两种选定的代表性吸附物)在众多掺杂的金红石型TMO表面上的吸附趋势,旨在证明掺杂的TMO表面上不同吸附物的吸附能(AE)变化。确定了“主客相互作用”引起的三元掺杂体系的吸附调节规则,与普通的IrO 2相比,该方案合理地指导了用于电催化氧释放反应的具有成本效益的Ir掺杂CrO 2或MnO 2催化剂的提议。
更新日期:2020-11-25
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