A dft based study of adsorption over small ni and ni-zr clusters

Pandey, Prachi

A dft based study of adsorption over small ni and ni-zr clusters - Roorkee Indian Institute of Technology Roorkee 2022 - viii,33p.


Ni catalyst, DFT-based study,TRM reaction, Doping Zr, Density functional theory, Metal Organic framework.

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