@Inbook{Rajaprabhu2026,
author="Rajaprabhu, Nikil Surya
and Goyal, Aditya
and Agarwal, Vishal",
editor="Narayanan, Sudarshan
and Chandra, Laltu
and Jhajhria, Deepika",
title="Molten Catalytic Systems for CO{\$}{\$}{\_}2{\$}{\$}-Free H{\$}{\$}{\_}2{\$}{\$}Production from CH{\$}{\$}{\_}4{\$}{\$}: A Perspective from Ab Initio Simulations",
bookTitle="Materials, Devices and Systems for Sustainability",
year="2026",
publisher="Springer Nature Singapore",
address="Singapore",
pages="61--73",
abstract="Molten catalytic systems for CO{\$}{\$}{\_}2{\$}{\$}2-free production of H{\$}{\$}{\_}2{\$}{\$}2from methane is an upcoming technology that can compete with steam methane reforming when subjected to CO{\$}{\$}{\_}2{\$}{\$}2abatement taxation. Several molten catalysts based on metals (and alloys), metal halides, and mixtures of them have been tested in the recent times. In this chapter, we provide a perspective from first-principles simulations done to understand the molecular aspects of molten catalyst and underlying reaction mechanism(s) for methane decomposition.",
isbn="978-981-96-7295-0",
doi="10.1007/978-981-96-7295-0_6",
url="https://doi.org/10.1007/978-981-96-7295-0_6"
}