Anti Liivat
Researcher at Department of Chemistry - Ångström Laboratory; Structural Chemistry
- Telephone:
- +46 18 471 37 15
- E-mail:
- Anti.Liivat@kemi.uu.se
- Visiting address:
- Lägerhyddsvägen 1
- Postal address:
- Box 538
751 21 Uppsala
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Publications
Selection of publications
- Intercalation and conversion reactions in Ni0.5TiOPO4 Li-ion battery anode materials (2013)
- Microwave-solvothermal synthesis of Fe3O4 magnetic nanoparticles (2013)
- Structural changes on cycling Li 2FeSiO 4 polymorphs from DFT calculations (2012)
- Molecular dynamics simulations of EMI-BF4 in nanoporous carbon actuators (2012)
- New crystalline NaAsF(6)-PEO(8) complex (2011)
- Li-ion migration in Li(2)FeSiO(4)-related cathode materials (2011)
- Structural and electrochemical aspects of Mn substitution into Li2FeSiO4 from DFT calculations (2010)
- A DFT study of VO43- polyanion substitution into the Li-ion battery cathode material Li2FeSiO4 (2010)
- Force field generation and molecular dynamics simulations of Li+-Nafion (2010)
Recent publications
- Detecting voltage shifts and charge storage anomalies by iron nanoparticles in three-electrode cells based on converted iron oxide and lithium iron phosphate (2023)
- Fast-charging effects on ageing for energy-optimized automotive LiNi1/3Mn1/3Co1/3O2/graphite prismatic lithium-ion cells (2019)
- Manganese Pyrosilicates as Novel Positive Electrode Materials for Na-Ion Batteries (2018)
- Reach MAX (2017)
- High energy density battery materials – understanding their endurance with the help of modelling (2017)
All publications
Articles
- Detecting voltage shifts and charge storage anomalies by iron nanoparticles in three-electrode cells based on converted iron oxide and lithium iron phosphate (2023)
- Fast-charging effects on ageing for energy-optimized automotive LiNi1/3Mn1/3Co1/3O2/graphite prismatic lithium-ion cells (2019)
- Manganese Pyrosilicates as Novel Positive Electrode Materials for Na-Ion Batteries (2018)
- Novel insights into higher capacity from the Li-ion battery cathode material Li2FeSiO4 (2017)
- Iron-Based Electrodes Meet Water-Based Preparation, Fluorine-Free Electrolyte and Binder (2017)
- Minerals as a source of novel Li-ion battery electrode materials (2015)
- Intercalation and conversion reactions in Ni0.5TiOPO4 Li-ion battery anode materials (2013)
- Microwave-solvothermal synthesis of Fe3O4 magnetic nanoparticles (2013)
- Structural changes on cycling Li 2FeSiO 4 polymorphs from DFT calculations (2012)
- Molecular dynamics simulations of EMI-BF4 in nanoporous carbon actuators (2012)
- New crystalline NaAsF(6)-PEO(8) complex (2011)
- Li-ion migration in Li(2)FeSiO(4)-related cathode materials (2011)
- Structural and electrochemical aspects of Mn substitution into Li2FeSiO4 from DFT calculations (2010)
- A DFT study of VO43- polyanion substitution into the Li-ion battery cathode material Li2FeSiO4 (2010)
- Force field generation and molecular dynamics simulations of Li+-Nafion (2010)
- A new force field for Molecular Dynamics studies of Li+- and Na+-Nafion (2008)
- Molecular dynamics studies of the Nafion®, Dow® and Aciplex® fuel-cell polymer membrane systems (2007)
- A Molecular Dynamics Study of Short-Chain Ordering in Crystalline LiPF6PEO6 (2007)
- A molecular dynamics study of ion-conduction mechanisms in crystalline low-Mw LiPF6·PEO6 (2007)
- Molecular Dynamics Simulations of Li- and Na-Nafion Membranes (2006)
- Conduction Mechanisms in Crystalline LiPF6·PEO6 Doped with SiF62- and SF6 (2005)
- Molecular Dynamics Simulation of the Crystalline Short-Chain Polymer System LiPF6PEO6 (Mw~1000) (2005)
- Molecular Dynamics simulation of the LiPF6∙PEO6 structure (2005)
- Development of a force field for Li2SiF6 (2005)
- Conduction mechanisms in crsytalline LiPF6∙PEO6 doped with SiF62- and SF6
Books
Conferences
- Reach MAX (2017)
- High energy density battery materials – understanding their endurance with the help of modelling (2017)
- In situ Mössbauer studies of the electrochemistry in symmetric cells (2017)
- Towards more environmentally friendly iron-based Li-ion batteries (2017)
- Alternative binders for lithium iron silicate (Li2FeSiO4) cathodes (2016)
- Quantifying the “electrolyte decomposition reaction” contribution to falsely high observed capacities in Li2FeSiO4 - using Mössbauer spectroscopy (2016)
- Development of an Li2FeSiO4 vs. Graphite LIB for Sustainable Energy Storage (2016)
- Silicates: from insulators to rechargable Li-ion battery materials (2015)
- The Stone Age and The Iron Age of Batteries (2015)
- Evidence for a >1 electron reaction in Li2FeSiO4: an in situ Mössbauer spectroscopy study (2015)
- Evidence for a >1 electron reaction in Li2FeSiO4: an in situ Mössbauer spectroscopy study (2015)
- Improving silicate cathode materials - insights from DFT calculations (2014)
- Can Li+ diffusion in silicates be improved? - Insights from DFT calculations (2013)
- Enhanced Capacity from Non-Stoichiometric Lithium Iron Silicate, Li2-2xFe1+xSiO4 (2009)
- Silicate Based Cathode Materials (2009)
- Silicate-based cathode material for lithium-ion batteries (2009)
- Lithium-ion battery cathodes using iron silicates (2009)
- Li-ion transport mechanisms in orthosilicate-type cathode materials (2009)
- Li-Fe-Silicates as Cathode Materials for Upscaled Li-Ion Batteries (2009)
- Improving silicate-based cathode materials (2009)
- VO43- polyanion substitution into Li2FeSiO4 (2009)
- Molecular dynamics simulations of Li- and Na-Nafion membranes (2006)