Application of density functional theory and machine learning in heterogenous-based catalytic reactions for hydrogen production

LI Ugwu, Y Morgan, H Ibrahim - International Journal of Hydrogen Energy, 2022 - Elsevier
Various feedstocks such as natural gas, glycerol, biomass, methanol, ethane, and other
hydrocarbons can be reformed to generate hydrogen as a viable alternative source of …

Modulation to favorable surface adsorption energy for oxygen evolution reaction intermediates over carbon-tunable alloys towards sustainable hydrogen production

H Adamu, ZH Yamani, M Qamar - Materials for Renewable and …, 2022 - Springer
Because of the value of hydrogen as the future energy in no distant time, demand for
efficient and scalable hydrogen production via electrochemical water splitting process has …

Data-driven systematic search of promising photocatalysts for water splitting under visible light

H Jin, H Zhang, J Li, T Wang, L Wan… - The Journal of …, 2019 - ACS Publications
Searching for highly efficient, environmentally friendly, and noble metal free photocatalysts
is an important topic in the photocatalytic field. The combination of data-driven high …

Fossil energy workshop on quantum information science & technology (summary report)

S Bush, Y Duan, B Gilbert, A Hussey, J Levy, D Miller… - 2020 - osti.gov
This report summarizes findings and discussion from the Fossil Energy Workshop on
Quantum Information Science & Technology which took place on November 19-21, 2019 …

Modelling the interactions of engineered nanoparticles with natural organic matter using in silico techniques

NN Nyangiwe - 2020 - repository.up.ac.za
With increasing number of nanoproducts being commercialized globally; and consequent
release of engineered nanoparticles (ENPs) into different environmental compartments with …