First‐Principles Study of Optical Properties of Linde‐Type A Zeolite
Roberto Núñez-González,
Mufei Xiao,
Joel Antúnez-García
et al.
Abstract:Within the framework of density functional theory, electronic structures of Linde‐type A (LTA) zeolite membranes are calculated, and based on the electronic structures, several key optical properties of LTA zeolite membranes can be conveniently determined, with the method of the full‐potential linearized augmented plane wave under the random phase approximation for the boundaries and the generalized gradient approximation for the exchange‐correlation potentials. The calculated optical properties as a function … Show more
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