Green hydrogen (H2) production through hydrogen evolution reaction (HER) via water splitting is deemed an efficient and sustainable fuel or energy carrier without environmental detriments. However, its higher cost remains the bottleneck in the commercialization process. Ubiquitously, porous binary metal-based catalysts so far remain the most active electrocatalysts for the HER, owing to their electronic effect, optimum hydrogen binding energy, and lower activation energies for H-desorption and recombination close to the thermodynamic potential. Despite plentiful efforts and developments, the engineering of porous binary metals for the HER still comprises numerous scientific problems to be unraveled, which still await deliberation. This review emphasizes the rational design of porous noble binary-metal-based electrocatalysts, porous transition binary-metal electrocatalysts (i.e., carbides/oxides, phosphides, chalcogenides) for the HER, both experimentally and theoretically (i.e., density functional theory (DFT) simulations and machine learning). Additionally, the associated mechanism, fundamental, and current interrogations (i.e., electronic effect, phase, strain, phase engineering, and interaction support) are highlighted related to porous bimetallic electrocatalysts for the HER. Eventually, a brief synopsis of the relevant milestones of current challenges and revitalizing perspectives to direct future research is presented aimed at developing effective porous binary metal-based electrocatalysts for large-scale HER applications.

中文翻译：

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揭示多孔二元金属基电催化剂在绿色析氢反应中的构效关系


通过水分解析氢反应 （HER） 生产绿色氢气 （H2） 被认为是一种高效且可持续的燃料或能源载体，不会对环境造成危害。然而，其较高的成本仍然是商业化过程中的瓶颈。到目前为止，无处不在的多孔二元金属基催化剂仍然是 HER 最活跃的电催化剂，因为它们具有电子效应、最佳氢结合能以及接近热力学电位的 H 解吸和复合的较低活化能。尽管做出了大量的努力和发展，但用于 HER 的多孔二元金属工程仍包含许多有待解开的科学问题，这些问题仍有待深思熟虑。本文从实验和理论（即密度泛函理论 （DFT） 模拟和机器学习）的角度强调了用于 HER 的多孔贵金属基电催化剂、多孔过渡二元金属电催化剂（即碳化物/氧化物、磷化物、硫属化物）的合理设计。此外，重点介绍了与 HER 的多孔双金属电催化剂相关的机理、基本原理和电流询问（即电子效应、相位、应变、相位工程和相互作用支持）。最后，简要概述了当前挑战的相关里程碑，并为指导未来的研究提供了振兴前景，旨在开发用于大规模 HER 应用的有效多孔二元金属基电催化剂。