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Tracking the Potential-Controlled Synthesis of Cu-Nanocuboids and Graphene-Covered Cu-Nanocuboids Under Operando CO2 Electroreduction

Thanh Hai Phan, Karla Banjac, Fernando P. Cometto, Federico Dattila, Rodrigo Garcı́a-Muelas, Nuria Lopez, Magalí Lingenfelder

Version 1 posted 09 November 2020

628

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Catalysis

Working Paper

Automated Multiscale Universal Simulation Environment

Albert Sabadell-Rendón, Kamila Kaźmierczak, Santiago Morandi, Florian Euzenat, Daniel Curulla-Ferré, Núria López

Version 1 posted 02 May 2023

385

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Catalysis

Working Paper

The role of polaronic states in the enhancement of CO oxidation by single-atom Pt/CeO2

Minttu Kauppinen, Nathan Daelman, Nuria Lopez, Karoliina Honkala

Version 1 posted 06 June 2022

376

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1

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Theoretical and Computational Chemistry

Working Paper

Diffusion trapped oxygen in oxide derived Copper electrocatalyst in CO2 reduction

Zan Lian, Federico Dattila, Núria López

Version 1 posted 24 March 2023

600

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1

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Catalysis

Working Paper

Nickel Dynamics Switch the Selectivity of CO2 Hydrogenation

José Manuel González-Acosta, Albert Sabadell-Rendón, Kamila Kaźmierczak, Florian Euzenat, Nicolas Montroussier, Daniel Curulla-Ferré, Núria López

Version 1 posted 19 July 2024

638

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Catalysis

Working Paper

Fast Evaluation of the Adsorption Energy of Organic Molecules on Metals via Graph Neural Networks

Sergio Pablo-García, Santiago Morandi, Rodrigo Alejandro Vargas-Hernández, Kjell Jorner, Núria López, Alán Aspuru-Guzik

Version 1 posted 06 October 2022

723

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1

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Nanoscience

Working Paper

Periodic table screening for enhanced positive contrast in MRI and in vivo uptake in glioblastoma

Aitor Herraiz, M. Puerto Morales, Lydia Martínez-Parra, Nuria Arias-Ramos, Pilar López-Larrubia, Lucía Gutierrez, Jesús Mejías, Carlos Díaz-Ufano, Jesús Ruiz-Cabello, Fernando Herranz

Version 2 posted 19 January 2024

353

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Catalysis

Working Paper

Cu+ transient species mediate Cu catalyst reconstruction during CO2 electroreduction

Jan Vavra, Gaetan Ramona, Federico Dattila, Attila Kormányos, Tatiana Priamushk, Petru Albertini, Anna Loiudice, Serhiy Cherevko, Núria Lopéz, Raffaella Buonsanti

Version 2 posted 28 August 2023

1,696

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1

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Catalysis

Working Paper

A Foundational Model for Reaction Networks on Metal Surfaces

Santiago Morandi, Oliver Loveday, Tim Renningholtz, Sergio Pablo-García, Rodrigo A. Vargas-Hernández, Ranga Rohit Seemakurthi, Pol Sanz Berman, Rodrigo García-Muelas, Alán Aspuru-Guzik, Núria López

Version 1 posted 01 July 2024

1,750

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Catalysis

Working Paper

rNets: A standalone package to visualize reaction networks.

Sergio Pablo-García, Raúl Pérez-Soto, Albert Sabadell-Rendón, Diego Garay-Ruiz, Vladyslav Nosylevskyi, Nuria López

Version 1 posted 03 April 2024

604

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16 results in Núria López in Authors: Núria López

Tracking the Potential-Controlled Synthesis of Cu-Nanocuboids and Graphene-Covered Cu-Nanocuboids Under Operando CO2 Electroreduction

Automated Multiscale Universal Simulation Environment

The role of polaronic states in the enhancement of CO oxidation by single-atom Pt/CeO2

Diffusion trapped oxygen in oxide derived Copper electrocatalyst in CO2 reduction

Nickel Dynamics Switch the Selectivity of CO2 Hydrogenation

Fast Evaluation of the Adsorption Energy of Organic Molecules on Metals via Graph Neural Networks

Periodic table screening for enhanced positive contrast in MRI and in vivo uptake in glioblastoma

Cu+ transient species mediate Cu catalyst reconstruction during CO2 electroreduction

A Foundational Model for Reaction Networks on Metal Surfaces

rNets: A standalone package to visualize reaction networks.

16 results in Authors: Núria López