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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

555

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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

242

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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

600

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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

1,218

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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

452

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1

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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

305

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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

205

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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

300

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Catalysis

Working Paper

The role of Manganese in CoMnOx Catalysts for Selective Fischer-Tropsch Synthesis

HAO CHEN, Zan Lian, Xiao Zhao, Jiawei Wan, Priscilla F. Pieters, Judit Oliver Meseguer, Ji Yang, Elzbieta Pach, Sophie Carenco, Laureline Treps, Nikos Liakakos, Yu Shan, Maria Virginia Altoe, Ed Wong, Zengqing Zhuo, Feipeng Yang, Ji Su, Jinghua Guo, Monika Blum, Lapidus Saul H, Hunt Adrian, Waluyo Iradwikanari, Ogasawara Hirohito, Haimei Zheng, Peidong Yang, Alexis T. BELL, Nuria López, Miquel Salmeron

Version 1 posted 07 November 2023

289

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Chemical Engineering and Industrial Chemistry

Working Paper

Microenvironment effects from first principles multiscale modeling of electrochemical CO2 reduction

Francesca Lorenzutti, Ranga Seemakurthi, Evan Johnson, Santiago Morandi, Pavle Nikacevic, Nuria Lopez, Sophia Haussener

Version 1 posted 08 May 2024

121

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10 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

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

Cu+ transient species mediate Cu catalyst reconstruction during CO2 electroreduction

Diffusion trapped oxygen in oxide derived Copper electrocatalyst in CO2 reduction

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

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

rNets: A standalone package to visualize reaction networks.

The role of Manganese in CoMnOx Catalysts for Selective Fischer-Tropsch Synthesis

Microenvironment effects from first principles multiscale modeling of electrochemical CO2 reduction

10 results in Authors: Núria López