The world needs solutions for the ever-growing global warming issues due to the rapid utilization of fossil fuels, an eco-friendly and better solution is needed for energy production and utilization. Researchers are taking more efforts to solve the issues, in particular, the production of hydrogen in an eco-friendly way has been regarded as a very important technology that can reduce greenhouse gases. New materials and technologies are in the developing stage for a better and easy way to produce hydrogen. The catalysis process is the driving force for hydrogen production in an eco-friendly way. There are many catalysis technologies were discovered, and many technologies are applied to enhance the efficiency of hydrogen production. These technologies include catalyst surface modification, vacancy control, atomic unit engineering, band engineering with other materials, and surface grafting of co-catalysts. The developed catalysts are applied in hydrogen production systems as a photocatalyst, electrocatalyst, and photo-electrocatalyst to estimate the hydrogen production efficiency. Our research efforts are mainly focused on the 1) development of new catalyst and co-catalyst materials, 2) material structure analysis, and 3) catalyst efficiency evaluation.