skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Identification of dopant site and its effect on electrochemical activity in Mn-doped lithium titanate

Journal Article · · Physical Review Materials
 [1];  [2];  [3];  [4];  [4];  [5];  [5];  [6];  [2];  [7]
  1. Stony Brook Univ., NY (United States). Dept. of Materials Science and Chemical Engineering
  2. Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)
  4. Weizmann Inst. of Science, Rehovot (Israel). Dept. of Materials and Interfaces
  5. Brookhaven National Lab. (BNL), Upton, NY (United States). Sustainable Energy Technologies Dept.
  6. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). Materials Measurement Science Division
  7. Stony Brook Univ., NY (United States). Dept. of Materials Science and Chemical Engineering; Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Division

Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Center for Mesoscale Transport Properties (m2mt); Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0012704; AC02-98CH10886; AC02-05CH11231; SC0012673; 16–039
OSTI ID:
1488846
Alternate ID(s):
OSTI ID: 1488636; OSTI ID: 1493188
Report Number(s):
BNL-210811-2018-JAAM; BNL-211241-2019-JAAM; PRMHAR
Journal Information:
Physical Review Materials, Vol. 2, Issue 12; ISSN 2475-9953
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 20 works
Citation information provided by
Web of Science

References (66)

ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT journal June 2005
Generalized Gradient Approximation Made Simple journal October 1996
Multi-Stage Structural Transformations in Zero-Strain Lithium Titanate Unveiled by in Situ X-ray Absorption Fingerprints journal November 2017
Challenges of Spinel Li 4 Ti 5 O 12 for Lithium-Ion Battery Industrial Applications journal January 2017
Enhanced high-rate performance of sub-micro Li4Ti4.95Zn0.05O12 as anode material for lithium-ion batteries journal July 2012
The Fine Line between a Two-Phase and Solid-Solution Phase Transformation and Highly Mobile Phase Interfaces in Spinel Li 4+ x Ti 5 O 12 journal December 2016
NEXAFS Spectroscopy book January 1992
Spectroscopic fingerprints of valence and spin states in manganese oxides and fluorides journal May 2013
Femtosecond XANES Study of the Light-Induced Spin Crossover Dynamics in an Iron(II) Complex journal January 2009
Phase transition in the spinel Li4Ti5O12 induced by lithium insertion journal June 2003
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal September 2009
Solving local structure around dopants in metal nanoparticles with ab initio modeling of X-ray absorption near edge structure journal January 2016
Size Dependence of Doping by a Vacancy Formation Reaction in Copper Sulfide Nanocrystals journal July 2017
Applications of Modulation Excitation Spectroscopy in Heterogeneous Catalysis journal January 2017
Structure and high rate performance of Ni2+ doped Li4Ti5O12 for lithium ion battery journal December 2013
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Local Structure and Lithium Diffusion Pathways in Li 4 Mn 2 O 5 High Capacity Cathode Probed by Total Scattering and XANES journal April 2018
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study journal January 1998
Observation of high-spin mixed oxidation state of cobalt in ceramic Co 3 TeO 6 journal December 2014
Tunable electronic and magnetic properties of two-dimensional materials and their one-dimensional derivatives: Tunable electronic and magnetic properties of two-dimensional materials journal March 2016
Performance of DFT+ U Approaches in the Study of Catalytic Materials journal November 2016
High rate capability and long-term cyclability of Li4Ti4.9V0.1O12 as anode material in lithium ion battery journal October 2011
Mn-substituted spinel Li4Ti5O12 materials studied by multifrequency EPR spectroscopy journal January 2013
Implications of Occupational Disorder on Ion Mobility in Li 4 Ti 5 O 12 Battery Materials journal May 2017
Ab initiomolecular dynamics for liquid metals journal January 1993
Practical aspects of running the WIEN2k code for electron spectroscopy journal January 2007
Progress in the theory and interpretation of XANES journal January 2005
The 1s x-ray absorption pre-edge structures in transition metal oxides journal February 2009
Endogenous Dynamic Nuclear Polarization for Natural Abundance 17 O and Lithium NMR in the Bulk of Inorganic Solids journal November 2018
Li2CuTi3O8–Li4Ti5O12 double spinel anode material with improved rate performance for Li-ion batteries journal January 2009
Lithium diffusion in the spinel phase Li 4 Ti 5 O 12 and in the rocksalt phase Li 7 Ti 5 O 12 of lithium titanate from first principles journal May 2014
Ab initio and experimental pre-edge investigations of the Mn K -edge XANES in oxide-type materials journal April 2005
Small Change—Great Effect: Steep Increase of Li Ion Dynamics in Li 4 Ti 5 O 12 at the Early Stages of Chemical Li Insertion journal February 2015
Porous Li4Ti5O12 Coated with N-Doped Carbon from Ionic Liquids for Li-Ion Batteries journal February 2011
Organic/Inorganic Metal Halide Perovskite Optoelectronic Devices beyond Solar Cells journal March 2018
Yttrium-modified Li 4 Ti 5 O 12 as an effective anode material for lithium ion batteries with outstanding long-term cyclability and rate capabilities journal January 2013
Efficient implementation of core-excitation Bethe–Salpeter equation calculations journal December 2015
Bethe-Salpeter equation calculations of core excitation spectra journal March 2011
A Relativistic Equation for Bound-State Problems journal December 1951
Quadrupolar transitions and medium-range-order effects in metal K -edge x-ray absorption spectra of 3 d transition-metal compounds journal July 2004
Giant Electrostriction in Gd-Doped Ceria journal August 2012
Studies of the location of precious metals in nanocrystalline titanium dioxide using XRD and XANES journal March 2007
In-situ extended X-ray absorption fine structure study of electrostriction in Gd doped ceria journal January 2015
Strain-Induced Bond Buckling and Its Role in Insulating Properties of Cr-Doped V 2 O 3 journal November 2006
New techniques in electron energy-loss spectroscopy and energy-filtered imaging journal April 2003
High-rate-capability Graphene Oxide/Li4Ti5O12-composite Anode for Lithium-Ion Batteries journal April 2017
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal May 1994
Multiple Scattering Calculations of Bonding and X-ray Absorption Spectroscopy of Manganese Oxides journal April 2003
Investigation of periodically driven systems by x-ray absorption spectroscopy using asynchronous data collection mode journal April 2018
Widths of the Atomic k–n7 Levels journal January 2001
An upper limit of Cr-doping level to Retain Zero-strain Characteristics of Li4Ti5O12 Anode Material for Li-ion Batteries journal February 2017
Building better batteries journal February 2008
Front Cover: Improved Free-Energy Landscape Quantification Illustrated with a Computationally Designed Protein-Ligand Interaction (ChemPhysChem 1/2018) journal December 2017
Reversed Nanoscale Kirkendall Effect in Au–InAs Hybrid Nanoparticles journal October 2016
Recent advances of Li 4 Ti 5 O 12 as a promising next generation anode material for high power lithium-ion batteries journal January 2015
Studies of Mg-Substituted Li4−xMgxTi5O12 Spinel Electrodes (0≤x≤1) for Lithium Batteries journal January 2001
Evaluation of MnO x , Mn 2 O 3 , and Mn 3 O 4 Electrodeposited Films for the Oxygen Evolution Reaction of Water journal June 2014
Nonresonant valence-to-core x-ray emission spectroscopy of niobium journal March 2018
Cations Distribution and Valence States in Mn-Substituted Li 4 Ti 5 O 12 Structure journal July 2008
EXAFS, XANES, and DFT study of the mixed-valence compound YMn 2 O 5 : Site-selective substitution of Fe for Mn journal July 2010
Cr and Ni Doping of Li 4 Ti 5 O 12 : Cation Distribution and Functional Properties journal October 2009
Zero-Strain Insertion Material of Li[Li[sub 1∕3]Ti[sub 5∕3]]O[sub 4] for Rechargeable Lithium Cells journal January 1995
Time Resolved Operando X-ray Techniques in Catalysis, a Case Study: CO Oxidation by O2 over Pt Surfaces and Alumina Supported Pt Catalysts journal February 2017
From Impurity Doping to Metallic Growth in Diffusion Doping: Properties and Structure of Silver-Doped InAs Nanocrystals journal October 2015
Emerging operando and x-ray pair distribution function methods for energy materials development journal March 2016
AMnO3 (A = Sr, La, Ca, Y) Perovskite Oxides as Oxygen Reduction Electrocatalysts journal January 2018

Cited By (1)

Doping site identification in 112 iron pnictides through a first-principles core-electron spectroscopic study journal June 2019