Publikacje

Data publikacji: 2025-01-01

Single atom and sub-nanometer copper clusters deposited on titania for hydrogen evolution reaction: A density functional study

Dorota Rutkowska-Zbik, Vidya Kaipanchery, Renata Tokarz-Sobieraj

Catalysis Today 446 (2025-01-01) 115142
https://doi.org/
Pobierz PDF

Abstrakt

We present a systematic theoretical study on the applicability of the hybrid Cun-TiO2 systems (n = 1 – 7) for photo electrochemical hydrogen evolution reaction. The preferred binding sites for hydrogen atom are determined. The hydrogen adopts a Cu-H-Ti bridging position when bound to Cu1-(TiO2)34 or Cu7-(TiO2)34 or Cu-H-Cu when bound to Cu2-(TiO2)34 or Cu4-(TiO2)34. In Cun-(TiO2)34 with n = 3, 5, 6 the H atom sits in the three coordinate site, similar to that found for its favourable position while on Cu(111). The population analysis reveals that in the selected cases

Lista publikacji

Lista publikacji

Rok -
M. Saad, M. Bucki, S. Bujok, D. Pawcenis, T. Rijavec, K. Gorecki, L. Bratasz, I. Kralj Cigic, M. Strlic, K. Kruczala, The impact of heat and humidity on unplasticized poly(vinyl chloride), Polymer Degradation and Stability 238 (2025-03-26) 111334.
L. Lamch, I. Leszczynska, D. Dlugowska, W. Szczesna, P. Batys, E. Jarek, K. Wilk, P. Warszynski, Synthesis of New Cationic Dicephalic Surfactants and Their Nonequivalent Adsorption at the Air/Solution Interface, Langmuir : the ACS journal of surfaces and colloids 41 (2025-03-23) .
G. Mordarski, K. Skowron, D. Duraczynska, A. Drabczyk, R.P. Socha, Development of a Multi-Bed Catalytic Heat Generator Utilizing a Palladium-Based Hydrogen Combustion System, Energies 18 (2025-03-10) 1348.
D. Kozien, K. Krygowska, P. Zeliszewska, A. Szczygiel, A. Rudawska, B. Szermer-Olearnik, P. Rusiniak, K. Wator, K. Wegierek-Ciura, P. Jelen, J. Marchewka, K. Pasiut, J. Partyka, E. Pajtasz-Piasecka, Z. Pedzich, Surface-Modified Ceramic Boron Carbide as a Platform for Specific Targeting in Tumour Environments , Applied Sciences 15 (2025-03-04) 2734.
L. Witkowski, A. Wiertel-Pochopien, D. Kosior, G. Gochev, P. Warszynski, G.G. Fuller, J. Zawala, Dynamic nanostructures at the surface of rising bubbles in amphiphile solutions: Comparison of low-molecular-weight surfactants and proteins, Advances in Colloid and Interface Science 340 (2025-02-27) 103447.
A. Biessikirski, G. Piotr Kaczmarczyk, M. Kolano, K. Kaznowska-Opala, M. Ruggiero-Mikolajczyk, J. Gurgul, L. Kuterasinski, Impact of Treatment Methods on the Surface Properties of the Mg-Containing Zeolite Y, Materials 18 (2025-02-26) 1033.
T. Rijavec, S. Bujok, S. Antropov, A. G Newsome, J. Grau-Bove, I. Kralj Cigic, K. Kruczala, L. Bratasz, M. Strlic, Heritage PVC objects: Understanding the diffusion-evaporation of plasticizers, Polymer Degradation and Stability 235 (2025-02-21) 111270.
E. Wator-Wilk, P. Wilk, P. Grudnik, The structural biology of deoxyhypusination complexes, Structure 33 (2025-02-06) 221-227.
M. Morga, D. Kosior, M. Nattich-Rak, I. Leszczyńska, P. Batys, Z. Adamczyk, A. M. Leshansky, Kinetics of Macroion Adsorption on Silica: Complementary Theoretical and Experimental Investigations for Poly‑L‑arginine, Langmuir (2025-02-04) 2248-2258.
J. Kleba, K. Zheng, D. Duraczynska, M. Marzec, M. Fedyna, J. Mokrzycki, Insights into HKUST-1 Metal-Organic Framework’s Morphology and Physicochemical Properties Induced by Changing the Copper(II) Salt Precursors, Materials 18 (2025-02-03) 676.