First principles study of the atomic layer deposition of alumina by TMA–H 2 O-process T Weckman, K Laasonen Physical Chemistry Chemical Physics 17 (26), 17322-17334, 2015 | 116 | 2015 |

Atomic layer deposition of zinc oxide: Diethyl zinc reactions and surface saturation from first-principles T Weckman, K Laasonen The Journal of Physical Chemistry C 120 (38), 21460-21471, 2016 | 60 | 2016 |

Enhanced performance of a silicon microfabricated direct methanol fuel cell with PtRu catalysts supported on few-walled carbon nanotubes M Borghei, G Scotti, P Kanninen, T Weckman, IV Anoshkin, AG Nasibulin, ... Energy 65, 612-620, 2014 | 45 | 2014 |

Atomic layer deposition of zinc oxide: Study on the water pulse reactions from first-principles T Weckman, K Laasonen The Journal of Physical Chemistry C 122 (14), 7685-7694, 2018 | 30 | 2018 |

CO Oxidation on the Au_{15}Cu_{15} Cluster and the Role of Vacancies in the MgO(100) SupportL Ma, M Melander, T Weckman, K Laasonen, J Akola The Journal of Physical Chemistry C 120 (47), 26747-26758, 2016 | 29 | 2016 |

Kinetic Monte Carlo study of the atomic layer deposition of zinc oxide T Weckman, M Shirazi, SD Elliott, K Laasonen The Journal of Physical Chemistry C 122 (47), 27044-27058, 2018 | 25 | 2018 |

Constant inner potential DFT for modelling electrochemical systems under constant potential and bias MM Melander, T Wu, T Weckman, K Honkala npj Computational Materials 10 (1), 5, 2024 | 12 | 2024 |

DFT simulations and microkinetic modelling of 1-pentyne hydrogenation on Cu20 model catalysts L Ma, M Melander, T Weckman, S Lipasti, K Laasonen, J Akola Journal of Molecular Graphics and Modelling 65, 61-70, 2016 | 9 | 2016 |

Oxidative dehydrogenation of alcohols on gold: An experimental and computational study on the role of water and the alcohol chain length L Mastroianni, T Weckman, K Eränen, V Russo, DY Murzin, K Honkala, ... Journal of Catalysis, 2023 | 2 | 2023 |

Dispersion without many-body density distortion: Assessment on atoms and small molecules DP Kooi, T Weckman, P Gori-Giorgi Journal of chemical theory and computation 17 (4), 2283-2293, 2021 | 2 | 2021 |

Overview of doctoral theses on Atomic Layer Deposition collected in the Virtual Project on the History of ALD A Jaan, A Jussi, A Esko, R Andrew, A Saima, B Mikhael, B Maria, B Ivan, ... Proceedings of 19th International Conference on Atomic Layer Deposition (ALD …, 2019 | 1 | 2019 |

Dispersion with Fixed Diagonal Matrices: Exchange energy correction and an assessment of the Becke-Roussel exchange hole T Weckman arXiv preprint arXiv:2401.02125, 2024 | | 2024 |

Understanding Selective Hydrogenation of Phenylacetylene on Pdagsingle Atom Alloy: Dft Insights on Molecule Size and Surfaceensemble Effects HH Ibrahim, T Weckman, DY Murzin, K Honkala Available at SSRN 4726125, 2024 | | 2024 |

Laterally Bound Co Porphyrin on CdTe QD: A Long-Lived Charge-Separated Nanocomposite J Dana, R Khan, T Weckman, K Honkala, NV Tkachenko The Journal of Physical Chemistry C, 2023 | | 2023 |

First Principles Multiscale Modelling of the Atomic Layer Deposition of Al2O3 and ZnO T Weckman Aalto University, 2018 | | 2018 |