Marcella Iannuzzi (M Iannuzzi)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 42

Top Topics

Magnetic Resonance

Highly Efficient

Molecular Dynamics

Top Venues

Nature communications

The journal of physical chemistry letters

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Nicolas Velasquez, Fernanda B Nunes, Oksana Travnikova, Iyas Ismail, Renaud Guillemin, Jessica B Martins, Denis Céolin, Loïc Journel, Laure Fillaud, Dimitrios Koulentianos, Chinnathambi Kamal, Ralph Püttner, Maria Novella Piancastelli, Marc Simon, Michael Odelius, Marcella Iannuzzi, Tatiana Marchenko
X-ray induced ultrafast charge transfer in thiophene-based conjugated polymers controlled by core-hole clock spectroscopy. Physical chemistry chemical physics : PCCP 26 (2) (2024)
Sarai Dery Folkestad, Alexander C Paul, Regina Paul Née Matveeva, Sonia Coriani, Michael Odelius, Marcella Iannuzzi, Eirik F Kjønstad
Understanding X-ray absorption in liquid water using triple excitations in multilevel coupled cluster theory. Nature communications 15 (1) (2024)
Man Guo, Nanchen Dongfang, Marcella Iannuzzi, Jeroen Anton van Bokhoven, Luca Artiglia
Structure and Reactivity of Active Oxygen Species on Silver Surfaces for Ethylene Epoxidation. ACS catalysis 14 (13) (2024)
Maria Bilichenko, Marcella Iannuzzi, Gabriele Tocci
Slip Opacity and Fast Osmotic Transport of Hydrophobes at Aqueous Interfaces with Two-Dimensional Materials. ACS nano 18 (35) (2024)
Sarai Dery Folkestad, Alexander C Paul, Regina Paul Née Matveeva, Sonia Coriani, Michael Odelius, Marcella Iannuzzi, Eirik F Kjønstad
Understanding X-ray absorption in liquid water using triple excitations in multilevel coupled cluster theory. Nature communications 15 (1) (2024)
Man Guo, Nanchen Dongfang, Marcella Iannuzzi, Jeroen Anton van Bokhoven, Luca Artiglia
Structure and Reactivity of Active Oxygen Species on Silver Surfaces for Ethylene Epoxidation. ACS catalysis 14 (13) (2024)
Maria Bilichenko, Marcella Iannuzzi, Gabriele Tocci
Slip Opacity and Fast Osmotic Transport of Hydrophobes at Aqueous Interfaces with Two-Dimensional Materials. ACS nano (2024)
Sarai Dery Folkestad, Alexander C Paul, Regina Paul Née Matveeva, Sonia Coriani, Michael Odelius, Marcella Iannuzzi, Eirik F Kjønstad
Understanding X-ray absorption in liquid water using triple excitations in multilevel coupled cluster theory. Nature communications 15 (1) (2024)
Johannes Gäding, V Della Balda, J Lan, Julian Konrad, Marcella Iannuzzi, Robert H Meißner, Gabriele Tocci
The role of the water contact layer on hydration and transport at solid/liquid interfaces. Proceedings of the National Academy of Sciences of the United States of America 121 (38) (2024)
Nicolas Velasquez, Fernanda B Nunes, Oksana Travnikova, Iyas Ismail, Renaud Guillemin, Jessica B Martins, Denis Céolin, Loïc Journel, Laure Fillaud, Dimitrios Koulentianos, Chinnathambi Kamal, Ralph Püttner, Maria Novella Piancastelli, Marc Simon, Michael Odelius, Marcella Iannuzzi, Tatiana Marchenko
X-ray induced ultrafast charge transfer in thiophene-based conjugated polymers controlled by core-hole clock spectroscopy. Physical chemistry chemical physics : PCCP 26 (2) (2024)
Helena Roithmeyer, Laurent Sévery, Thomas Moehl, Bernhard Spingler, Olivier Blacque, Thomas Fox, Marcella Iannuzzi, S David Tilley
Electrocatalytic Ammonia Oxidation with a Tailored Molecular Catalyst Heterogenized via Surface Host-Guest Complexation. Journal of the American Chemical Society 146 (1) (2023)
Helena Roithmeyer, Laurent Sévery, Thomas Moehl, Bernhard Spingler, Olivier Blacque, Thomas Fox, Marcella Iannuzzi, S David Tilley
Electrocatalytic Ammonia Oxidation with a Tailored Molecular Catalyst Heterogenized via Surface Host-Guest Complexation. Journal of the American Chemical Society (2023)
Fabian Belleflamme, Anna-Sophia Hehn, Marcella Iannuzzi, Jürg Hutter
A variational formulation of the Harris functional as a correction to approximate Kohn-Sham density functional theory. The Journal of chemical physics 158 (5) (2023)
Nicolas Velasquez, Fernanda B Nunes, Oksana Travnikova, Iyas Ismail, Renaud Guillemin, Jessica B Martins, Denis Céolin, Loïc Journel, Laure Fillaud, Dimitrios Koulentianos, Chinnathambi Kamal, Ralph Püttner, Maria Novella Piancastelli, Marc Simon, Michael Odelius, Marcella Iannuzzi, Tatiana Marchenko
X-ray induced ultrafast charge transfer in thiophene-based conjugated polymers controlled by core-hole clock spectroscopy. Physical chemistry chemical physics : PCCP (2023)
Fernanda B Nunes, Nicolò Comini, J Trey Diulus, Thomas Huthwelker, Marcella Iannuzzi, Jürg Osterwalder, Zbynek Novotny
Dynamic Equilibrium at the HCOOH-Saturated TiO 2 (110)-Water Interface. The journal of physical chemistry letters (2023)
Beliz Sertcan, Seyyed Jabbar Mousavi, Marcella Iannuzzi, Peter Hamm
Low-frequency anharmonic couplings in crystalline bromoform: Theory. The Journal of chemical physics 158 (1) (2023)
Yonggui Zhao, Nanchen Dongfang, Carlos A Triana, Chong Huang, Rolf Erni, Wenchao Wan, Jingguo Li, Dragos Constantin Stoian, Long Pan, Ping Zhang, Jinggang Lan, Marcella Iannuzzi, Greta R Patzke
Dynamics and control of active sites in hierarchically nanostructured cobalt phosphide/chalcogenide-based electrocatalysts for water splitting. Energy & environmental science 15 (2) (2022)
Yonggui Zhao, Wenchao Wan, Nanchen Dongfang, Carlos A Triana, Lewis Douls, Chong Huang, Rolf Erni, Marcella Iannuzzi, Greta R Patzke
Optimized NiFe-Based Coordination Polymer Catalysts: Sulfur-Tuning and Operando Monitoring of Water Oxidation. ACS nano 16 (9) (2022)
Giacomo Melani, Juan Pablo Guerrero-Felipe, Ana M Valencia, Jannis Krumland, Caterina Cocchi, Marcella Iannuzzi
Donors, acceptors, and a bit of aromatics: electronic interactions of molecular adsorbates on hBN and MoS 2 monolayers. Physical chemistry chemical physics : PCCP 24 (27) (2022)
Cecilia Herrero, Michela Pauletti, Gabriele Tocci, Marcella Iannuzzi, Laurent Joly
Connection between water's dynamical and structural properties: Insights from ab initio simulations. Proceedings of the National Academy of Sciences of the United States of America 119 (21) (2022)
Feng Shao, Jun Kit Wong, Qi Hang Low, Marcella Iannuzzi, Jingguo Li, Jinggang Lan
In situ spectroelectrochemical probing of CO redox landscape on copper single-crystal surfaces. Proceedings of the National Academy of Sciences of the United States of America 119 (29) (2022)
Peter Reinholdt, Marta L Vidal, Jacob Kongsted, Marcella Iannuzzi, Sonia Coriani, Michael Odelius
Nitrogen K-Edge X-ray Absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polarizable Embedding Coupled Cluster Methods. The journal of physical chemistry letters 12 (36) (2021)
Regan G Wilks, Axel Erbing, Golnaz Sadoughi, David E Starr, Evelyn Handick, Frank Meyer, Andreas Benkert, Marcella Iannuzzi, Dirk Hauschild, Wanli Yang, Monika Blum, Lothar Weinhardt, Clemens Heske, Henry James Snaith, Michael Odelius, Marcus Bär
Dynamic Effects and Hydrogen Bonding in Mixed-Halide Perovskite Solar Cell Absorbers. The journal of physical chemistry letters 12 (16) (2021)
Michela Pauletti, Vladimir V Rybkin, Marcella Iannuzzi
Subsystem Density Functional Theory Augmented by a Delta Learning Approach to Achieve Kohn-Sham Accuracy. Journal of chemical theory and computation 17 (10) (2021)
Jinggang Lan, Venkat Kapil, Piero Gasparotto, Michele Ceriotti, Marcella Iannuzzi, Vladimir V Rybkin
Simulating the ghost: quantum dynamics of the solvated electron. Nature communications 12 (1) (2021)
Jia-Bo Le, Ao Chen, Lang Li, Jing-Fang Xiong, Jinggang Lan, Yun-Pei Liu, Marcella Iannuzzi, Jun Cheng
Modeling Electrified Pt(111)-Had/Water Interfaces from Ab Initio Molecular Dynamics. JACS Au 1 (5) (2021)
Michela Pauletti, Vladimir V Rybkin, Marcella Iannuzzi
Surface tension of liquids and binary mixtures from molecular dynamics simulations. Journal of physics. Condensed matter : an Institute of Physics journal 34 (4) (2021)
Laurent Joly, Robert H Meißner, Marcella Iannuzzi, Gabriele Tocci
Osmotic Transport at the Aqueous Graphene and hBN Interfaces: Scaling Laws from a Unified, First-Principles Description. ACS nano 15 (9) (2021)
Jinggang Lan, Venkat Kapil, Piero Gasparotto, Michele Ceriotti, Marcella Iannuzzi, Vladimir V Rybkin
Author Correction: Simulating the ghost: quantum dynamics of the solvated electron. Nature communications 12 (1) (2021)
Laurent Sévery, Jacek Szczerbiński, Mert Taskin, Isik Tuncay, Fernanda B Nunes, Chiara Cignarella, Gabriele Tocci, Olivier Blacque, Jürg Osterwalder, Renato Zenobi, Marcella Iannuzzi, S David Tilley
Immobilization of molecular catalysts on electrode surfaces using host-guest interactions. Nature chemistry 13 (6) (2021)
Wenchao Wan, Carlos A Triana, Jinggang Lan, Jingguo Li, Christopher S Allen, Yonggui Zhao, Marcella Iannuzzi, Greta R Patzke
Bifunctional Single Atom Electrocatalysts: Coordination-Performance Correlations and Reaction Pathways. ACS nano 14 (10) (2020)
Jinggang Lan, Vladimir V Rybkin, Marcella Iannuzzi
Ionization of Water as an Effect of Quantum Delocalization at Aqueous Electrode Interfaces. The journal of physical chemistry letters 11 (9) (2020)
Huanyao Cun, Zichun Miao, Adrian Hemmi, Yasmine Al-Hamdani, Marcella Iannuzzi, Jürg Osterwalder, Michael S Altman, Thomas Greber
High-Quality Hexagonal Boron Nitride from 2D Distillation. ACS nano 15 (1) (2020)
Adrian Hemmi, Huanyao Cun, Gabriele Tocci, Adrian Epprecht, Bart Stel, Magalí Lingenfelder, Luis Henrique de Lima, Matthias K Muntwiler, Jürg Osterwalder, Marcella Iannuzzi, Thomas Greber
Catalyst Proximity-Induced Functionalization of h-BN with Quat Derivatives. Nano letters 19 (9) (2019)
Vinícius Vaz da Cruz, Faris Gel'mukhanov, Sebastian Eckert, Marcella Iannuzzi, Emelie Ertan, Annette Pietzsch, Rafael C Couto, Johannes Niskanen, Mattis Fondell, Marcus Dantz, Thorsten Schmitt, Xingye Lu, Daniel McNally, Raphael M Jay, Victor Kimberg, Alexander Föhlisch, Michael Odelius
Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering. Nature communications 10 (1) (2019)
Pavel Kliuiev, Giovanni Zamborlini, Matteo Jugovac, Yeliz Gurdal, Karin von Arx, Kay Waltar, Stephan Schnidrig, Roger Alberto, Marcella Iannuzzi, Vitaliy Feyer, Matthias Hengsberger, Jürg Osterwalder, Luca Castiglioni
Combined orbital tomography study of multi-configurational molecular adsorbate systems. Nature communications 10 (1) (2019)
Manuel Graf, Gerson Mette, Dominik Leuenberger, Yeliz Gurdal, Marcella Iannuzzi, Wolf-Dietrich Zabka, Stephan Schnidrig, Benjamin Probst, Jürg Hutter, Roger Alberto, Jürg Osterwalder
The impact of metalation on adsorption geometry, electronic level alignment and UV-stability of organic macrocycles on TiO2(110). Nanoscale 9 (25) (2018)
Stephan N Steinmann, Rodrigo Ferreira De Morais, Andreas W Götz, Paul Fleurat-Lessard, Marcella Iannuzzi, Philippe Sautet, Carine Michel
Force Field for Water over Pt(111): Development, Assessment, and Comparison. Journal of chemical theory and computation 14 (6) (2018)
David Paleček, Gökçen Tek, Jinggang Lan, Marcella Iannuzzi, Peter Hamm
Characterization of the Platinum-Hydrogen Bond by Surface-Sensitive Time-Resolved Infrared Spectroscopy. The journal of physical chemistry letters 9 (6) (2018)
Ruben Staub, Marcella Iannuzzi, Rustam Z Khaliullin, Stephan N Steinmann
Energy Decomposition Analysis for Metal Surface-Adsorbate Interactions by Block Localized Wave Functions. Journal of chemical theory and computation 15 (1) (2018)
Maria Ekimova, Wilson Quevedo, Łukasz Szyc, Marcella Iannuzzi, Philippe Wernet, Michael Odelius, Erik T J Nibbering
Aqueous Solvation of Ammonia and Ammonium: Probing Hydrogen Bond Motifs with FT-IR and Soft X-ray Spectroscopy. Journal of the American Chemical Society 139 (36) (2017)
Arobendo Mondal, Michael W Gaultois, Andrew J Pell, Marcella Iannuzzi, Clare P Grey, Jürg Hutter, Martin Kaupp
Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K. Journal of chemical theory and computation 14 (1) (2017)