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Physical Chemistry

Review

Electronic structure methods for simulating the applied potential in semiconductor electrochemistry

Kayvan Moradi, Marko Melander

Version 1 posted 09 October 2024

160

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Catalysis

Working Paper

Potential-dependent polaron formation activates TiO2 for the hydrogen evolution reaction

Tongwei Wu, Marko M. Melander, Xiaoxi Guo, Guangjie Zhang, Yanning Zhang, Zhiming Wang, Li Song, Zheng Liu, Jie Xiong, Karoliina Honkala

Version 1 posted 13 June 2024

313

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Catalysis

Working Paper

Hierarchical MoS2@NiFeCo-Mo(doped)-LDH Heterostructures as Efficient Alkaline Water Splitting (Photo)Electrocatalysts

Kayvan Moradi, Maysam Ashrafi, Abdollah Salimi, Marko Melander

Version 1 posted 24 June 2024

296

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Catalysis

Working Paper

Deposited PtGe clusters as active and durable catalysts for CO oxidation

Andoni Ugartemendia Biurrun, Jose M. Mercero, Abel de Cózar, Marko M. Melander, Jaakko Akola, Elisa Jimenez-Izal

Version 1 posted 12 September 2023

205

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Physical Chemistry

Working Paper

First-principles insight into CO hindered agglomeration of Rh and Pt single atoms on ZrO2

Minttu M. Kauppinen, Marko Melander, Karoliina Honkala

Version 1 posted 31 March 2020

419

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Materials Science

Working Paper

Effect of H Adsorption on the Magnetic Properties of an Fe Island on a W(110) Surface

Marko Melander, Hannes Jonsson

Version 1 posted 23 August 2019

670

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Physical Chemistry

Working Paper

Grand-Canonical Approach to Density Functional Theory of Electrocatalytic Systems: Thermodynamics of Solid-Liquid Interfaces at Constant Ion and Electrode Potentials

Marko Melander, Mikael Kuisma, Thorbjørn Christensen, Karoliina Honkala

Version 2 posted 04 September 2018

1,801

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Catalysis

Working Paper

Escaping Scaling Relationships for Water Dissociation at Interfacial Sites of Zirconia-Supported Rh and Pt Clusters

Minttu M. Kauppinen, Ville Korpelin, Anand Mohan Verma, Marko Melander, Karoliina Honkala

Version 1 posted 05 September 2019

607

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1

Citations

Physical Chemistry

Working Paper

Adiabatic versus Non-Adiabatic Electron Transfer at 2D Electrode Materials

Dan-Qing Liu, Minkyung Kang, David Perry, Chang-Hui Chen, Geoff West, Xue Xia, Zachary P.L. Laker, Neil R. Wilson, Marko Melander, Reinhard Maurer, Patrick R. Unwin

Version 2 posted 26 May 2021

740

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Physical Chemistry

Working Paper

Constant inner potential DFT for modelling electrochemical systems under constant potential and bias

Marko Melander, Tongwei Wu, Karoliina Honkala

Version 3 posted 01 March 2023

1,320

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6

Citations

Refine Search

17 results in Marko Melander in Authors: Marko Melander

Electronic structure methods for simulating the applied potential in semiconductor electrochemistry

Potential-dependent polaron formation activates TiO2 for the hydrogen evolution reaction

Hierarchical MoS2@NiFeCo-Mo(doped)-LDH Heterostructures as Efficient Alkaline Water Splitting (Photo)Electrocatalysts

Deposited PtGe clusters as active and durable catalysts for CO oxidation

First-principles insight into CO hindered agglomeration of Rh and Pt single atoms on ZrO2

Effect of H Adsorption on the Magnetic Properties of an Fe Island on a W(110) Surface

Grand-Canonical Approach to Density Functional Theory of Electrocatalytic Systems: Thermodynamics of Solid-Liquid Interfaces at Constant Ion and Electrode Potentials

Escaping Scaling Relationships for Water Dissociation at Interfacial Sites of Zirconia-Supported Rh and Pt Clusters

Adiabatic versus Non-Adiabatic Electron Transfer at 2D Electrode Materials

Constant inner potential DFT for modelling electrochemical systems under constant potential and bias

17 results in Authors: Marko Melander