Marko M. Melander
Jyväskylän yliopisto
H-index: 18
Europe-Finland
Top articles of Marko M. Melander
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Front Cover: Deposited PtGe Clusters as Active and Durable Catalysts for CO Oxidation (ChemCatChem 3/2024) | ChemCatChem | Andoni Ugartemendia Jose M Mercero Abel de Cózar Marko M Melander Jaakko Akola | 2024/2/8 |
Deposited PtGe clusters as active and durable catalysts for CO oxidation | ChemCatChem | Andoni Ugartemendia Jose M Mercero Abel de Cózar Marko M Melander Jaakko Akola | 2024/2/8 |
Constant inner potential DFT for modelling electrochemical systems under constant potential and bias | npj Computational Materials | Marko M Melander Tongwei Wu Timo Weckman Karoliina Honkala | 2024/1/5 |
2023 Roadmap on molecular modelling of electrochemical energy materials | Journal of Physics: Energy | Chao Zhang Jun Cheng Yiming Chen Maria KY Chan Qiong Cai | 2023/10/30 |
Approximating constant potential DFT with canonical DFT and electrostatic corrections | The Journal of Chemical Physics | Fabiola Domínguez-Flores Marko M Melander | 2023/4/14 |
Frozen or dynamic?—an atomistic simulation perspective on the timescales of electrochemical reactions | Marko M Melander | 2023/4/1 | |
GPAW: open Python package for electronic-structure calculations | arXiv preprint arXiv:2310.14776 | Jens Jørgen Mortensen Ask Hjorth Larsen Mikael Kuisma Aleksei V Ivanov Alireza Taghizadeh | 2023/10/23 |
Grand Canonical DFT Investigation of the CO2RR and HER Reaction Mechanisms on MoTe2 Edges | The Journal of Physical Chemistry C | Pernille D Pedersen Marko M Melander Thomas Bligaard Tejs Vegge Karoliina Honkala | 2023/9/18 |
Theoretical advances in understanding the active site microenvironment towards the electrocatalytic nitrogen reduction reaction in aqueous media | Tongwei Wu Marko M Melander Karoliina Honkala | 2023/8/29 | |
Cations Determine the Mechanism and Selectivity of Alkaline Oxygen Reduction Reaction on Pt (111) | Angewandte Chemie | Tomoaki Kumeda Laura Laverdure Karoliina Honkala Marko M Melander Ken Sakaushi | 2023/12/18 |
Computational Criteria for Hydrogen Evolution Activity on Ligand-Protected Au25-Based Nanoclusters | ACS Catalysis | Omar López-Estrada Nisha Mammen Laura Laverdure Marko M Melander Hannu Häkkinen | 2023/6/22 |
Cation-induced changes in the inner- and outer-sphere mechanisms of electrocatalytic CO2 reduction | Nature Communications | Xueping Qin Heine A Hansen Karoliina Honkala Marko M Melander | 2023/11/22 |
Reducing the irreducible: Dispersed metal atoms facilitate reduction of irreducible oxides | The Journal of Physical Chemistry C | Ville Korpelin Marko M Melander Karoliina Honkala | 2022/1/10 |
Atomic-Scale Modelling of Electrochemical Systems | Marko M Melander Tomi Laurila Kari Laasonen John Wiley | 2022 | |
Electrocatalytic rate constants from DFT simulations and theoretical models: Learning from each other | Fabiola Dominguez-Flores Marko M Melander | 2022/12/1 | |
Addressing Dynamics at Catalytic Heterogeneous Interfaces with DFT-MD | J. Phys. Chem. Lett. | Ville Korpelin Toni Kiljunen Marko M Melander Miguel A Caro Henrik H Kristoffersen | 2022/3/17 |
Coadsorption of NRR and HER intermediates determines the performance of Ru-N4 towards electrocatalytic N2 reduction | ACS Catalysis | Tongwei Wu Marko M Melander Karoliina Honkala | 2022/2/3 |
On the Mechanistic | Marko Melander Karoliina Honkala | 2021 | |
Grand canonical ensemble approach to electrochemical thermodynamics, kinetics, and model Hamiltonians | Marko M Melander | 2021/10/1 | |
Chemoselective heterogeneous iridium catalyzed hydrogenation of cinnamalaniline | Catalysis Science & Technology | Risto Savela Nataliya D Shcherban Marko M Melander Igor Bezverkhyy Irina L Simakova | 2021 |
