| 1 |
Theoretical study of SF6 decomposition products adsorption on metal oxide cluster-modified single-layer graphene
Zhang Q, Gui Y, Qiao H, Chen X, Cao L
Journal of Industrial and Engineering Chemistry, 105, 278, 2022 |
| 2 |
Remarkable Enhancement of Eu-TiO2-GO Composite for Photodegradation of Indigo Carmine: A Design Method Based on Computational and Experimental Perspectives
Oppong SOB, Opoku F, Govender PP
Catalysis Letters, 151(4), 1111, 2021 |
| 3 |
Energy profiles by DFT methods for CO and NO catalytic adsorption over ZnO surfaces
Galan OAL, Carbajal-Franco G
Catalysis Today, 360, 38, 2021 |
| 4 |
In situ-generated arene-ruthenium catalysts bearing cycloalkylamines for the ring-opening metathesis polymerization of norbornene
Oliveira DP, Cruz TR, Martins DM, Maia PIS, Machado AEH, Bogado AL, Goi BE, Lima-Neto BS, Carvalho-Jr VP
Catalysis Today, 381, 34, 2021 |
| 5 |
The direct synthesis of hydrogen peroxide over Au and Pd nanoparticles: A DFT study
Agarwal N, Thomas L, Nasrallah A, Sainna MA, Freakley SJ, Edwards JK, Catlow CRA, Hutchings GJ, Taylor SH, Willock DJ
Catalysis Today, 381, 76, 2021 |
| 6 |
The effect of additives (pyrazine, pyrazole and their derivatives) in the oxidation of 2-butanol with FeCl3-H2O2 in aqueous solutions
de Araujo ML, Correia GA, Carvalho WA, Shul'pina LS, Kozlov YN, Shul'pin GB, Mandelli D
Catalysis Today, 381, 163, 2021 |
| 7 |
Direct conversion of carboxylic acid to olefins over Pt-loaded, oxygen-deficient alkali hexatitanate catalysts with ketonization-hydrogenation-dehydration activity
Promchana P, Boonchun A, T-Thienprasert J, Sooknoi T, Maluangnont T
Catalysis Today, 375, 418, 2021 |
| 8 |
Ammonia electro-oxidation mechanism on the platinum (100) surface
Wallace SW, McCrum IT, Janik MJ
Catalysis Today, 371, 50, 2021 |
| 9 |
Role of geometry, charge and fluxionality of clusters in CO2 activation on supported sub-nanometer metal clusters: The case of Cu tetramers on pristine and O-terminated MXene
Mondal U, Ghosh P
Catalysis Today, 370, 93, 2021 |
| 10 |
Computationally exploring the role of S-dopant and S-linker in activating the catalytic efficiency of graphene quantum dot for ORR
Banerjee P, Das GP, Thapa R
Catalysis Today, 370, 36, 2021 |
