Advances in electrocatalysis at solid–liquid interfaces are vital for driving the technological innovations that are needed to deliver reliable, affordable and environmentally friendly energy. Here, we highlight the key achievements in the development of new materials for efficient hydrogen and oxygen production in electrolysers and, in reverse, their use in fuel cells. A key issue addressed here is the degree to which the fundamental understanding of the synergy between covalent and non-covalent interactions can form the basis for any predictive ability in tailor-making real-world catalysts. Common descriptors such as the substrate–hydroxide binding energy and the interactions in the double layer between hydroxide-oxides and H---OH are found to control individual parts of the hydrogen and oxygen electrochemistry that govern the efficiency of water-based energy conversion and storage systems. Links between aqueous- and organic-based environments are also established, encouraging the 'fuel cell' and 'battery' communities to move forward together.

固液界面电催化技术的进步对于推动技术创新至关重要，这些技术创新是提供可靠，负担得起且对环境友好的能源所必需的。在这里，我们重点介绍了在电解器中高效生产氢气和氧气以及反之在燃料电池中使用这些新材料的开发中所取得的关键成就。在此解决的一个关键问题是，对共价和非共价相互作用之间的协同作用的基本了解可以为量身定制现实世界中的催化剂提供任何预测能力的基础。发现常见的描述符，例如底物与氢氧根的结合能以及氢氧根氧化物与H--OH之间在双层中的相互作用，可控制氢和氧电化学的各个部分，这些部分控制着水基能量的转化效率和存储系统。还建立了基于水和有机环境之间的联系，鼓励“燃料电池”和“电池”社区共同前进。