Abstract H 2 S and CO 2 are common coexisted gases widely existing in natural gas resources, and they need to be treated harmlessly. The traditional Claus treatment process only focuses on H 2 S treatment but ignores CO 2 . This article systematically conducted theoretical thermodynamic research on the thermocatalytic conversion of H 2 S and CO 2 . It was found that increasing the reaction temperature and H 2 S ratio would have a positive impact on the reaction, while increasing the pressure would lead to a decrease in the conversion rate of reactants and product yield, and introducing COS into the feed gas could have a promoting effect on the reaction. Furthermore, 5 %Mo/Al 2 O 3 catalyst was used to preliminarily explore the thermal and photothermal catalysis for H 2 S and CO 2 conversion. The results showed that the photothermal catalysis significantly promoted the production of syngas (H 2 and CO), and suppressed COS production in contrast to thermal catalysis. This indicates that the introduction of light could effectively convert H 2 S and CO 2 into high‐value product syngas, providing important reference value for further research on the conversion of H 2 S and CO 2 .