Modeling of low temperature adsorption of hydrogen in carbon nanopores
We simulated the low temperature (T= 77 K) hydrogen adsorption in carbon slit-shaped
nanopores using consecutively united atom (UA) and all atom (AA) representation of …
nanopores using consecutively united atom (UA) and all atom (AA) representation of …
Hydrogen Storage in Pure and Boron-Substituted Nanoporous Carbons—Numerical and Experimental Perspective
Nanoporous carbons remain the most promising candidates for effective hydrogen storage
by physisorption in currently foreseen hydrogen-based scenarios of the world's energy …
by physisorption in currently foreseen hydrogen-based scenarios of the world's energy …
l–Alanine adsorbed aluminum doped ZnO structures for nanocomposites with tailored photovoltaic properties: a DFT study
KB Banu, S Dheivamalar - Functional Composites and Structures, 2020 - iopscience.iop.org
Abstract The l-Alanine adsorbed Al-doped Zn 8 O 8 (lA-AlZn 7 O 8) with an amine site (P1)
and carboxyl site (P2) were investigated through density functional theory (DFT) calculations …
and carboxyl site (P2) were investigated through density functional theory (DFT) calculations …