Andres Ruderman

Andres Ruderman
National Scientific and Technical Research Council | conicet

Doctor en Física (Ph. D.)

About

16
Publications
1,722
Reads
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72
Citations
Additional affiliations
June 2011 - August 2013
Ulm University
Position
  • Research Assistant

Publications

Publications (16)
Article
Full-text available
Herein, a novel open-source software for predicting the performance of single particles of electrode materials under galvanostatic charging conditions is presented. The model improves previous work by incorporating different thermodynamic approaches to describe the interaction between intercalated ions, and the software provides tools for fitting d...
Chapter
This chapter provides a comprehensive overview of two-dimensional carbon-host materials, focusing on their application in lithium-sulfur batteries. Various configurations of carbon, including graphene, graphene oxide, and mesoporous carbon nanosheets, are explored. The effects of different functional groups, such as pyridinic nitrogen, ketone oxyge...
Article
In this work, we evaluate the reliability of a recently developed model for estimating kinetic parameters for different materials used in lithium-ion batteries. This model considers non-interacting Li-ions being inserted under constant current conditions, assuming finite diffusion inside the particles and charge transfer limitations at the electrod...
Preprint
Full-text available
We present a new approach to studying nanoparticle collisions using Density Functional based Tight Binding (DFTB). A novel DFTB parameterisation has been developed to study the collision process of Sn and Si nanoparticles (NPs) using Molecular Dynamics (MD). While bulk structures were used as training sets, we show that our model is able to accurat...
Article
In this work we have investigated the effect of slurry pH on the lithiation mechanism of silicon nanoparticle (SiNP) anodes in lithium-ion batteries. To this end, we have used a combination of lithium (7Li) and silicon (29Si) magic angle spinning nuclear magnetic resonance (MAS NMR), density functional theory (DFT), and electrochemical charge–disch...
Article
Complex materials composed of two and three elements with high Li-ion storage capacity are investigated and tested as lithium-ion batteries (LiBs) negative electrodes. Namely, anodes containing tin, silicon, and graphite show a very good performance because of the large gravimetric and volumetric capacity of silicon and structural support provided...
Article
Full-text available
We have investigated the scenario for the hydrogen evolution reaction at stepped silver surfaces in acid solutions at high overpotentials using a simple kinetic model. Two independent types of sites, at the steps and at the terraces, were considered. The rate constants for the Volmer and Heyrovsky reactions were estimated. Both reactions occur with...
Article
Full-text available
We address a molecular dissociation mechanism that is known to occur when a H 2 molecule approaches a catalyst with its molecular axis parallel to the surface. It is found that molecular dissociation is a form of quantum dynamical phase transition associated to an analytic discontinuity of quite unusual nature: the molecule is destabilized by the t...
Preprint
We address a molecular dissociation mechanism that is known to occur when a H 2 molecule approaches a catalyst with its molecular axis parallel to the surface. It is found that molecular dissociation is a form of quantum dynamical phase transition associated to an ana- lytic discontinuity of quite unusual nature: the molecule is destabilized by the...
Article
Full-text available
In this work we show that the molecular chemical bond formation and dissociation in presence of the d-band of a metal catalyst can be described as a Quantum Dynamical Phase Transition (QDPT). This agree with DFT calculations that predict sudden jumps in some observables as the molecule breaks. According to our model this phenomenon emerges because...

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