A new class of powerful materials for electrochemical energy storage: Lithium-rich oxyfluorides with cubic dense packing

Deliverables

Synthesis Report

Final report on synthesis and structural features

Dissemination Plan

Report describing planned dissemination activities

Electrode Model

Porous electrode model on the continuum level

Interface Transport Report

Report on the ionic and electronic transport at the interface

Performance Report

Report on electrochemical testing of materials

Updated Data Management Plan

Final version of the data management plan

Interim Coatings and Surfaces Report

Report on coating development and surface composition of pristine and coated materials

Bulk Transport Report

Report on the ionic and electronic transport in the bulk

Final Project Report

Final report on LiRichFCC (mandatory periodic report)

Material Synthesis

First set of materials synthesized and delivered to partners (15 g)

Data Management Plan

Data Management Plan formulated in which it will be determined and explained which of the research data generated will be made open

Workshop

Dedicated LiRichFCC international workshop

Website

Project website online

Publications

Design of Nickel-Based Cation-Disordered Rock-Salt Oxides: The Effect of Transition Metal (M = V, Ti, Zr) Substitution in LiNi 0.5 M 0.5 O 2 Binary Systems

Author(s): Musa Ali Cambaz, Bhaghavathi P. Vinayan, Holger Euchner, Rune E. Johnsen, Alexander A. Guda, Andrey Mazilkin, Yury V. Rusalev, Alexander L. Trigub, Axel Gross, Maximilian Fichtner
Published in: ACS Applied Materials & Interfaces, Issue 10/26, 2018, Page(s) 21957-21964, ISSN 1944-8244
Publisher: American Chemical Society
DOI: 10.1021/acsami.8b02266

CLEASE: a versatile and user-friendly implementation of cluster expansion method

Author(s): Jin Hyun Chang, David Kleiven, Marko Melander, Jaakko Akola, Juan Maria Garcia-Lastra, Tejs Vegge
Published in: Journal of Physics: Condensed Matter, Issue 31/32, 2019, Page(s) 325901, ISSN 0953-8984
Publisher: Institute of Physics Publishing
DOI: 10.1088/1361-648X/ab1bbc

Suppressing Dissolution of Vanadium from Cation-Disordered Li 2– x VO 2 F via a Concentrated Electrolyte Approach

Author(s): Musa Ali Cambaz, Bhaghavathi P. Vinayan, Syed Atif Pervez, Rune E. Johnsen, Holger Geßwein, Alexander A. Guda, Yury V. Rusalev, Michael Kiarie Kinyanjui, Ute Kaiser, Maximilian Fichtner
Published in: Chemistry of Materials, Issue 31/19, 2019, Page(s) 7941-7950, ISSN 0897-4756
Publisher: American Chemical Society
DOI: 10.1021/acs.chemmater.9b02074

Degradation Mechanisms in Li 2 VO 2 F Li-Rich Disordered Rock-Salt Cathodes

Author(s): Ida Källquist, Andrew J. Naylor, Christian Baur, Johann Chable, Jolla Kullgren, Maximilian Fichtner, Kristina Edström, Daniel Brandell, Maria Hahlin
Published in: Chemistry of Materials, Issue 31/16, 2019, Page(s) 6084-6096, ISSN 0897-4756
Publisher: American Chemical Society
DOI: 10.1021/acs.chemmater.9b00829

Design and Tuning of the Electrochemical Properties of Vanadium-Based Cation-Disordered Rock-Salt Oxide Positive Electrode Material for Lithium-Ion Batteries

Author(s): Musa Ali Cambaz, Bhaghavathi P. Vinayan, Holger Euchner, Syed Atif Pervez, Holger Geßwein, Tobias Braun, Axel Gross, Maximilian Fichtner
Published in: ACS Applied Materials & Interfaces, Issue 11/43, 2019, Page(s) 39848-39858, ISSN 1944-8244
Publisher: American Chemical Society
DOI: 10.1021/acsami.9b12566

Oxygen Activity in Li-Rich Disordered Rock-Salt Oxide and the Influence of LiNbO 3 Surface Modification on the Electrochemical Performance

Author(s): Musa Ali Cambaz, Bhaghavathi P. Vinayan, Holger Geßwein, Alexander Schiele, Angelina Sarapulova, Thomas Diemant, Andrey Mazilkin, Torsten Brezesinski, R. Jürgen Behm, Helmut Ehrenberg, Maximilian Fichtner
Published in: Chemistry of Materials, Issue 31/12, 2019, Page(s) 4330-4340, ISSN 0897-4756
Publisher: American Chemical Society
DOI: 10.1021/acs.chemmater.8b04504

Improved cycling stability in high-capacity Li-rich vanadium containing disordered rock salt oxyfluoride cathodes

Author(s): Christian Baur, Ida Källquist, Johann Chable, Jin Hyun Chang, Rune E. Johnsen, Francisco Ruiz-Zepeda, Jean-Marcel Ateba Mba, Andrew J. Naylor, Juan Maria Garcia-Lastra, Tejs Vegge, Franziska Klein, Annika R. Schür, Poul Norby, Kristina Edström, Maria Hahlin, Maximilian Fichtner
Published in: Journal of Materials Chemistry A, Issue 7/37, 2019, Page(s) 21244-21253, ISSN 2050-7488
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9ta06291b

A perspective on inverse design of battery interphases using multi-scale modelling, experiments and generative deep learning

Author(s): Arghya Bhowmik, Ivano E. Castelli, Juan Maria Garcia-Lastra, Peter Bjørn Jørgensen, Ole Winther, Tejs Vegge
Published in: Energy Storage Materials, Issue 21, 2019, Page(s) 446-456, ISSN 2405-8297
Publisher: Elsevier
DOI: 10.1016/j.ensm.2019.06.011

From Trigonal to Cubic LiVO 2 : A High-Energy Phase Transition toward Disordered Rock Salt Materials

Author(s): Johann Chable, Christian Baur, Jin Hyun Chang, Sebastian Wenzel, Juan Maria García-Lastra, Tejs Vegge
Published in: The Journal of Physical Chemistry C, Issue 124/3, 2019, Page(s) 2229-2237, ISSN 1932-7447
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcc.9b11235

Reversible Delithiation of Disordered Rock Salt LiVO 2

Author(s): Christian Baur, Johann Chable, Franziska Klein, Venkata Sai Kiran Chakravadhanula, Maximilian Fichtner
Published in: ChemElectroChem, Issue 5/11, 2018, Page(s) 1484-1490, ISSN 2196-0216
Publisher: Wiley
DOI: 10.1002/celc.201800189

Effects of a Mixed O/F Ligand in the Tavorite-Type LiVPO 4 O Structure

Author(s): Sorour Semsari Parapari, Jean-Marcel Ateba Mba, Elena Tchernychova, Gregor Mali, Iztok Arčon, Gregor Kapun, Mehmet Ali Gülgün, Robert Dominko
Published in: Chemistry of Materials, Issue 32/1, 2019, Page(s) 262-272, ISSN 0897-4756
Publisher: American Chemical Society
DOI: 10.1021/acs.chemmater.9b03698

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Deliverables

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