The growing energy demand, fossil fuel depletion, climate change, and stringent emission norms in transportation sector emphasis to think about alternate renewable and clean fuel. Among various alternative fuels hydrogen is quite attractive as it is carbon free and renewable in nature. Hydrogen is an eco-friendly, reliable, and safe energy source found abundant in nature. This chapter examines different methods of producing hydrogen from natural gas reforming, coal gasification, partial oxidation of hydrocarbons, as well as electrolysis from renewable sources like solar, wind, and hydroelectric energy. The production of hydrogen from renewable sources increases flexibility and improves economics with negligible net greenhouse gas emissions. Apart from production, the innovative application of hydrogen as fuel in ICEs is described herein through advanced injection techniques: port fuel injection, direct injection, and dual-fuel systems. Such methods are also associated with improvements in the efficiency of combustion, reductions in emissions, and improved performance in an engine. The novelty also comes from a systematic analysis based on hydrogen’s potential as a substitute for traditional fuels with the challenges that lie before, such as the risks of pre-ignition and knock, NOx emissions, and difficulties in storage. Highlighting the transformative potential of hydrogen, this chapter underscores its role in opening the door to cleaner and more sustainable transportation technologies. Future research is encouraged to develop injection systems for hydrogen, thereby overcoming practical barriers in its adoption. This work uniquely combines comprehensive insights into hydrogen production with its advanced application in ICEs, promising a significant leap towards carbon–neutral energy solutions.