It is very promising and challenging to design electrocatalysts with high activity for oxygen reduction reaction (ORR), oxygen evolution reaction (OER), and hydrogen evolution reaction (HER). Graphene-like germanium carbide (g-GeC) is a new candidate in the field of electrocatalysis due to its stable structure, high specific surface, and adjustable electronic properties. In this work, we systematically studied the electrocatalytic activities towards ORR, OER, and HER of the 3d, 4d, and 5d transition metal atom doped g-GeC (M-GeC). According to the scaling relations between binding energies of *OOH and *O as the function of *OH binding strength, conclusion can be made that M-GeC with strong binding strength of *OH tend to show strong binding strength of *O and *OOH. For ORR, the calculated overpotentials show that the catalytic activity of g-GeC is effectively improved after the introduction of Ag and Au, and the η^ORR values of Ag-GeC and Au-GeC are 0.44 and 0.46 V, respectively. For OER, Pd-GeC and Ni-GeC are determined as highly active catalysts with low η^OER values of 0.41 and 0.55 V, respectively. For HER, the ΔG_*H value of Mn-GeC is calculated as −0.04 eV, which is very close to the optimal value of 0 eV.

设计对氧还原反应（ORR）、析氧反应（OER）和析氢反应（HER）具有高活性的电催化剂是非常有前途和具有挑战性的。类石墨烯碳化锗（g-GeC）由于其结构稳定、比表面高和电子性质可调，是电催化领域的新候选材料。在这项工作中，我们系统地研究了 3d、4d 和 5d 过渡金属原子掺杂的 g-GeC (M-GeC) 对 ORR、OER 和 HER 的电催化活性。根据*OOH和*O的结合能随*OH结合强度变化的比例关系，可以得出*OH结合强度强的M-GeC倾向于表现出*O和*OOH的强结合强度. 对于 ORR，Ag-GeC 和 Au-GeC 的η ^ORR值分别为 0.44 和 0.46 V。对于 OER，Pd-GeC 和 Ni-GeC 被确定为高活性催化剂，其η ^OER值分别为 0.41 和 0.55 V。对于 HER，Mn-GeC的 Δ G _*H值计算为 -0.04 eV，非常接近最佳值 0 eV。