@inproceedings {742,
	title = {Hydrogen adsorption on titanium- and strontium-decorated graphene using first-principles study},
	booktitle = {Proceedings of the 44th Samahang Pisika ng Pilipinas Physics Conference},
	year = {2026},
	month = {17-20 Jun 2026},
	pages = {SPP-2026-PB-30},
	address = {Los Ba{\~n}os},
	abstract = {The widespread adoption of hydrogen fuel is heavily constrained by the lack of efficient storage materials. Graphene offers exceptional physical properties for high-capacity storage; however, its pristine surface lacks the active sites necessary for strong chemical binding. Although introducing metal decoration for the graphene is a known strategy to enhance surface reactivity, the complex interplay between the dopant, the carbon lattice, and hydrogen requires atomic-level clarification. Using density functional theory (DFT), we evaluated the electronic structure and adsorption energies of titanium- and strontium-decorated graphene monolayers upon hydrogen exposure. Hydrogen adsorption energies show unfavorable adsorption with pristine graphene (+0.33 eV), indicating weak physisorption. In contrast, Ti-decorated graphene exhibits strong chemisorption with a highly negative adsorption energy (-2.81 eV), while Sr-decorated graphene shows moderate binding (-0.92 eV), suggesting a balance between adsorption strength and reversibility. These results indicate that Ti-graphene enhances hydrogen adsorption capability but may hinder reversibility due to overly strong binding, whereas Sr-graphene provides more favorable storage conditions within a more moderate adsorption.},
	url = {https://proceedings.spp-online.org/article/view/SPP-2026-PB-30},
	author = {Harold O. Balubal and Alexander Paul Belila and Gennevieve M. Macam}
}