Research graph
References from Cu substitution in FePO₄ cathodes: Electronic structure and transport properties from DFT+U calculations. Local targets link to admitted publications; unresolved targets remain external evidence.
Towards greener and more sustainable batteries for electrical energy storage
10.1038/nchem.2085 · 2015 · External reference
The Li-ion rechargeable battery: a perspective
10.1021/ja3091438 · 2013 · External reference
Prospects for lithium-ion batteries and beyond a 2030 vision
10.1038/s41467-020-19991-4 · 2020 · External reference
Fe-induced electronic modulation in α-MnO2: a DFT+U study for advanced cathode materials
2025 · External reference
Phospho-olivines as positive-electrode materials for rechargeable lithium batteries
10.1149/1.1837571 · 1997 · External reference
Polyanionic (phosphates, silicates, sulfates) frameworks as electrode materials for rechargeable Li (or Na) batteries
10.1021/cr3001862 · 2013 · External reference
Rechargeable lithium batteries for energy storage in smart grids
2015 · External reference
Optimized LiFePO4 for lithium battery cathodes
10.1149/1.1348257 · 2001 · External reference
Positive electrode materials for Li-ion and Li-batteries
10.1021/cm902696j · 2010 · External reference
Li conductivity in LixMPO4 (M = Mn, Fe, Co, Ni) olivine materials
2004 · External reference
Lithium and sodium battery cathode materials: computational insights into voltage, diffusion and nanostructural properties
10.1039/c3cs60199d · 2014 · External reference
First-principles prediction of redox potentials in transition-metal compounds with LDA+U
10.1103/physrevb.70.235121 · 2004 · External reference
Electronic structure and electrical conductivity of undoped LiFePO4
10.1149/1.1703470 · 2004 · External reference
Anti-site defects and ion migration in the LiFe0.5Mn0.5PO4 mixed-metal cathode material
10.1021/cm902720z · 2010 · External reference
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
10.1107/s0567739476001551 · 1976 · External reference
Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials
10.1039/c1ee01782a · 2011 · External reference
Particle size dependence of the ionic diffusivity
10.1021/nl1023595 · 2010 · External reference
Copper-substituted, lithium rich iron phosphate as cathode material for lithium secondary batteries
10.1016/j.jallcom.2009.08.144 · 2009 · External reference
Optimized synthesis of Cu-doped LiFePO4/C cathode material by an ethylene glycol assisted co-precipitation method
10.1016/j.ceramint.2016.11.144 · 2017 · External reference
A study on LiFePO4 and its doped derivatives as cathode materials for lithium-ion batteries
10.1016/j.jpowsour.2006.04.046 · 2006 · External reference
BoltzTraP. A code for calculating band-structure dependent quantities
10.1016/j.cpc.2006.03.007 · 2006 · External reference
BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients
10.1016/j.cpc.2018.05.010 · 2018 · External reference
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
10.1088/0953-8984/21/39/395502 · 2009 · External reference
Special points for Brillouin-zone integrations
10.1103/physrevb.13.5188 · 1976 · External reference
Generalized gradient approximation made simple
10.1103/physrevlett.77.3865 · 1996 · External reference
Band theory and Mott insulators: hubbard U instead of Stoner I
10.1103/physrevb.44.943 · 1991 · External reference
Investigating the influence of Hubbard U on electronic properties and intercalation voltage in LiFePO4 cathode materials for lithium-ion batteries using first-principles study
2024 · External reference
Calculations of Hubbard U from first-principles
10.1103/physrevb.74.125106 · 2006 · External reference
Ab initio studies of the discharge mechanism of CuO cathodes modified with Bi2O3 in rechargeable alkaline Zn/CuO batteries
10.1149/1945-7111/adad45 · 2025 · External reference
High-throughput electronic band structure calculations: challenges and tools
10.1016/j.commatsci.2010.05.010 · 2010 · External reference
Projector augmented-wave method
10.1103/physrevb.50.17953 · 1994 · External reference
Improved tetrahedron method for Brillouin-zone integrations
10.1103/physrevb.49.16223 · 1994 · External reference
The electronic structure and band gap of LiFePO4 and LiMnPO4
10.1016/j.ssc.2004.07.055 · 2004 · External reference
Electronic conductivity and defect chemistry of heterosite FePO4
10.1002/adfm.201002059 · 2011 · External reference
Electronic structure of FePO4, LiFePO4, and related materials
10.1103/physrevb.68.165107 · 2003 · External reference
Structural, transport and electrochemical properties of LiFePO4 substituted in lithium and iron sublattices (Al, Zr, W, Mn, Co and Ni)
10.3390/ma6051656 · 2013 · External reference
VESTA: a three-dimensional visualization system for electronic and structural analysis
10.1107/s0021889808012016 · 2008 · External reference
Unresolved reference
2005 · External reference
Engineering multifunctional response in monolayer Fe3O4 via Zr adsorption: from half-metallicity to enhanced piezoelectricity
10.1016/j.rinp.2025.108556 · 2026 · External reference
First principles study of electrocatalytic behavior of olivine phosphates with mixed alkali and mixed transition metal atoms
10.1039/d0ra02577a · 2020 · External reference
Re-evaluation of experimental measurements for the validation of electronic band structure calculations for LiFePO₄ and FePO₄
10.1039/c8ra09154d · 2019 · External reference
