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Thermodynamics and Kinetics of Molecular Hydrogen Adsorption and Dissociation on MXenes: Relevance to Heterogeneously Catalyzed Hydrogenation Reactions

• Authors : Martí López; Ángel Morales-García; Francesc Viñes

Subjects: ab initio thermodynamics; molecular adsorption energies; first step toward

• Source: Articles publicats en revistes (Ciència dels Materials i Química Física)Dipòsit Digital de la UBinstname

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Thermodynamics and Kinetics of Molecular Hydrogen Adsorption and Dissociation on MXenes: Relevance to Heterogeneously Catalyzed Hydrogenation Reactions

• Authors : Martí López (9111166); Ángel Morales-García (1674961); Francesc Viñes (1276491)

Subjects: Biophysics; Biotechnology; Biological Sciences not elsewhere classified

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Superconformal Electrodeposition of Cobalt into Micron-Scale Trench with Alkynol Derivatives.

• Authors : Xu, Wei^1,2 (AUTHOR); Li, Yedi² (AUTHOR); Wu, Tingjun^1,2,3 (AUTHOR)

• Source: Materials (1996-1944). Apr2025, Vol. 18 Issue 8, p1747. 15p.

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Theoretical Study of Copper Squarate as a Promising Adsorbent for Small Gases Pollutants.

• Authors : Adjal, Celia^1,2 (AUTHOR) ; Guechtouli, Nabila^1,3 (AUTHOR) ; Timón, Vicente⁴ (AUTHOR)

• Source: Molecules. Jul2024, Vol. 29 Issue 13, p1-16. 16p. 5 Charts, 4 Graphs.

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Structure‐Sensitive Scaling Relations: Adsorption Energies from Surface Site Stability.

• Authors : Roling, Luke T.¹; Abild‐Pedersen, Frank²

• Source: ChemCatChem. 4/9/2018, Vol. 10 Issue 7, p1643-1650. 8p.

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Lowering the Exponential Wall: Accelerating High-Entropy Alloy Catalysts Screening using Local Surface Energy Descriptors from Neural Network Potentials

• Authors : Shiota, Tomoya; Ishihara, Kenji; Mizukami, Wataru

Subjects: Quantum Physics; Condensed Matter - Materials Science

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Selective Electrochemical Reductive Amination of Benzaldehyde at Heterogeneous Metal Surfaces

• Authors : Schiffer, Zachary J.; Chung, Minju; Steinberg, Katherine

Subjects: Report or Paper; PeerReviewed

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The molecular adsorption of carbon monoxide on cobalt surfaces: a DFT study.

• Authors : Borji, Fatemeh¹; Pour, Ali Nakhaei¹ ; Karimi, Javad²

• Source: Progress in Reaction Kinetics & Mechanism. Feb2017, Vol. 42 Issue 1, p89-98. 10p.

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A transferable prediction model of molecular adsorption on metals based on adsorbate and substrate properties

• Authors : Restuccia, Paolo; Ahmad, Ehsan A.; Harrison, Nicholas M.

Subjects: Condensed Matter - Materials Science; Condensed Matter - Mesoscale and Nanoscale Physics

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Molecular and dissociative adsorption of water and hydrogen sulfide at perfect and defective Cu(110) surfaces

• Authors : Lousada, Cláudio M.; Johansson, Adam Johannes; Korzhavyi, Pavel A.

Subjects: Materials Chemistry; Materialkemi; Condensed Matter Physics

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