Herein, a new class of intermetallic Pd₃Pb square nanoplates (SNP) and nanoplates assemblies is demonstrated with tunable crystalline orientation for boosting oxygen reduction reaction (ORR) activity and stability with excellent methanol tolerance. The Pd₃Pb intermetallic nanostructures show the crystalline‐orientation‐dependent electrocatalytic activity for ORR with (100)‐facet‐dominated Pd₃Pb SNP being the most active. The Pd₃Pb intermetallic SNP exhibits the highest ORR mass activity of 0.78 A mg⁻¹ at 0.9 V versus reversible hydrogen electrode in alkaline electrolyte for the state‐of‐art reported Pd‐based nanocatalysts, 7.1 times higher than that of commercial Pt/C. The unique structure of Pd₃Pb intermetallic SNP makes it highly stable for ORR with almost no activity decrease and no composition and morphology changes after a 5000‐cycle durability test. The Pd₃Pb intermetallic SNP also exhibits much higher methanol tolerance behavior than commercial Pt/C and Pd/C during ORR catalysis. Density functional theory calculations reveal that presence of Pb decreases adsorption strength of methanol on Pd₃Pb intermetallic SNP. The calculated E_methanol follows the order of Pd₃Pb (100) < Pd (111) < Pt (111) with (100)‐oriented Pd₃Pb SNP having the lowest methanol adsorption energy, thus boosting methanol tolerance performance.

中文翻译：

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金属间化合物Pd3Pb纳米板具有优异的耐甲醇性，可增强减氧催化作用

在本文中，新型金属间化合物Pd ₃ Pb方形纳米板（SNP）和纳米板组件被证明具有可调的晶体取向，可提高氧还原反应（ORR）活性和稳定性，并具有出色的甲醇耐受性。Pd ₃ Pb金属间纳米结构显示了ORR的晶体取向依赖性电催化活性，其中（100）面为主的Pd ₃ Pb SNP最活跃。对于最新报道的基于Pd的纳米催化剂，Pd ₃ Pb金属间SNP在0.9 V电压下的可逆氢电极的可再生氢电极活性最高，为0.78 A mg ^-1，比市售Pd /纳米催化剂高7.1倍。 C。钯的独特结构₃ Pb金属间SNP使其对ORR高度稳定，经过5000次循环耐久性测试后，几乎没有活性降低，且成分和形态也没有改变。在ORR催化过程中，Pd ₃ Pb金属间SNP的甲醇耐受性也比市售Pt / C和Pd / C高。密度泛函理论计算表明，Pb的存在会降低甲醇在Pd ₃ Pb金属间化合物SNP上的吸附强度。计算出的E_甲醇遵循Pd ₃ Pb（100）<Pd（111）<Pt（111）的顺序，其中（100）取向的Pd ₃ Pb SNP具有最低的甲醇吸附能，因此提高了甲醇耐受性。