| 1 |
Characterization of amorphous silica based catalysts using DFT computational methods
Tielens F, Gierada M, Handzlik J, Calatayud M
Catalysis Today, 354, 3, 2020 |
| 2 |
Combined experimental and theoretical study of acetylene semi-hydrogenation over Pd/Al2O3
Goncalves LPL, Wang JG, Vinati S, Barborini E, Wei XK, Heggen M, Franco M, Sousa JPS, Petrovykh DY, Soares OSGP, Kovnir K, Akola J, Kolen'ko YV
International Journal of Hydrogen Energy, 45(2), 1283, 2020 |
| 3 |
Surface modification of TiO2 with copper clusters for band gap narrowing
Sharma PK, Cortes MALRM, Hamilton JWJ, Han YS, Byrne JA, Nolan M
Catalysis Today, 321, 9, 2019 |
| 4 |
Synthesis and application of stable, reusable TiO2 polymeric composites for photocatalytic removal of metronidazole: Removal kinetics and density functional analysis
Neghi N, Kumar M, Burkhalov D
Chemical Engineering Journal, 359, 963, 2019 |
| 5 |
Electro-oxidation of cytostatic drugs: Experimental and theoretical identification of by-products and evaluation of ecotoxicological effects
Barisci S, Turkay O, Ulusoy E, Seker MG, Yuksel E, Dimoglo A
Chemical Engineering Journal, 334, 1820, 2018 |
| 6 |
XPS and DFT study of pulsed Bi-implantation of bulk and thin-films of ZnO-The role of oxygen imperfections
Zatsepin DA, Boukhvalov DW, Gavrilov NV, Kurmaev EZ, Zhidkov IS
Applied Surface Science, 387, 1093, 2016 |
| 7 |
Interplay between propylene and H2S co-adsorption on the H-2 flux characteristics of Pd-alloy membranes employed in propane dehydrogenation (PDH) processes
Peters TA, Polfus JM, van Berkel FPF, Bredesen R
Chemical Engineering Journal, 304, 134, 2016 |
| 8 |
Li-ion migration in Li2FeSiO4-related cathode materials: A DFT study
Liivat A, Thomas JO
Solid State Ionics, 192(1), 58, 2011 |
