Local and Bulk Probe of Vanadium-Substituted α-Manganese Oxide (α-KxVyMn8–yO16) Lithium Electrochemistry
Abstract
A series of V-substituted α-MnO2 (KxMn8–yVyO16·nH2O, y = 0, 0.2, 0.34, 0.75) samples were successfully synthesized without crystalline or amorphous impurities, as evidenced by X-ray diffraction (XRD) and Raman spectroscopy. Furthermore, transmission electron microscopy (TEM) revealed a morphological evolution from nanorods to nanoplatelets as V-substitution increased, while electron-energy loss spectroscopy (EELS) confirmed uniform distribution of vanadium within the materials. Rietveld refinement of synchrotron XRD showed an increase in bond lengths and a larger range of bond angles with increasing V-substitution. X-ray absorption spectroscopy (XAS) of the as-prepared materials revealed the V valence to be >4+ and the Mn valence to decrease with increasing V content. Upon electrochemical lithiation, increasing amounts of V were found to preserve the Mn–Mnedge relationship at higher depths of discharge, indicating enhanced structural stability. Electrochemical testing showed the y = 0.75 V-substituted sample to deliver the highest capacity and capacity retention after 50 cycles. The experimental findings were consistent with the predictions of density functional theory (DFT), where the V centers impart structural stability to the manganese oxide framework upon lithiation. The enhanced electrochemistry of the y = 0.75 V-substituted sample is also attributed to its smaller crystallite size in the form of a nanoplatelet morphology,more »
- Authors:
-
[1];
[2];
[2];
[3];
[2];
[5];
[6];
[6];
[6]
- Stony Brook Univ., NY (United States); Stony Brook Univ., NY (United States). Inst. for Electrochemically Stored Energy
- Stony Brook Univ., NY (United States). Inst. for Electrochemically Stored Energy; Brookhaven National Lab. (BNL), Upton, NY (United States)
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Department of Chemistry, Stony Brook University, Stony Brook, New York 11794, United States
- Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., NY (United States)
- Stony Brook Univ., NY (United States). Inst. for Electrochemically Stored Energy; Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., NY (United States)
- Publication Date:
- Research Org.:
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
- OSTI Identifier:
- 1822337
- Report Number(s):
- BNL-222173-2021-JAAM
Journal ID: ISSN 0020-1669; TRN: US2214457
- Grant/Contract Number:
- SC0012704; SC0012673; 1839287
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Inorganic Chemistry
- Additional Journal Information:
- Journal Volume: 60; Journal Issue: 14; Journal ID: ISSN 0020-1669
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Morphology; Vanadium; Transition metals; Diffraction; Materials
Citation Formats
Lutz, Diana M., Dunkin, Mikaela R., Tallman, Killian R., Wang, Lei, Housel, Lisa M., Yang, Shize, Zhang, Bingjie, Liu, Ping, Bock, David C., Zhu, Yimei, Marschilok, Amy C., Takeuchi, Esther S., and Takeuchi, Kenneth J. Local and Bulk Probe of Vanadium-Substituted α-Manganese Oxide (α-KxVyMn8–yO16) Lithium Electrochemistry. United States: N. p., 2021.
Web. doi:10.1021/acs.inorgchem.1c00954.
Lutz, Diana M., Dunkin, Mikaela R., Tallman, Killian R., Wang, Lei, Housel, Lisa M., Yang, Shize, Zhang, Bingjie, Liu, Ping, Bock, David C., Zhu, Yimei, Marschilok, Amy C., Takeuchi, Esther S., & Takeuchi, Kenneth J. Local and Bulk Probe of Vanadium-Substituted α-Manganese Oxide (α-KxVyMn8–yO16) Lithium Electrochemistry. United States. https://doi.org/10.1021/acs.inorgchem.1c00954
Lutz, Diana M., Dunkin, Mikaela R., Tallman, Killian R., Wang, Lei, Housel, Lisa M., Yang, Shize, Zhang, Bingjie, Liu, Ping, Bock, David C., Zhu, Yimei, Marschilok, Amy C., Takeuchi, Esther S., and Takeuchi, Kenneth J. Thu .
"Local and Bulk Probe of Vanadium-Substituted α-Manganese Oxide (α-KxVyMn8–yO16) Lithium Electrochemistry". United States. https://doi.org/10.1021/acs.inorgchem.1c00954. https://www.osti.gov/servlets/purl/1822337.
@article{osti_1822337,
title = {Local and Bulk Probe of Vanadium-Substituted α-Manganese Oxide (α-KxVyMn8–yO16) Lithium Electrochemistry},
author = {Lutz, Diana M. and Dunkin, Mikaela R. and Tallman, Killian R. and Wang, Lei and Housel, Lisa M. and Yang, Shize and Zhang, Bingjie and Liu, Ping and Bock, David C. and Zhu, Yimei and Marschilok, Amy C. and Takeuchi, Esther S. and Takeuchi, Kenneth J.},
abstractNote = {A series of V-substituted α-MnO2 (KxMn8–yVyO16·nH2O, y = 0, 0.2, 0.34, 0.75) samples were successfully synthesized without crystalline or amorphous impurities, as evidenced by X-ray diffraction (XRD) and Raman spectroscopy. Furthermore, transmission electron microscopy (TEM) revealed a morphological evolution from nanorods to nanoplatelets as V-substitution increased, while electron-energy loss spectroscopy (EELS) confirmed uniform distribution of vanadium within the materials. Rietveld refinement of synchrotron XRD showed an increase in bond lengths and a larger range of bond angles with increasing V-substitution. X-ray absorption spectroscopy (XAS) of the as-prepared materials revealed the V valence to be >4+ and the Mn valence to decrease with increasing V content. Upon electrochemical lithiation, increasing amounts of V were found to preserve the Mn–Mnedge relationship at higher depths of discharge, indicating enhanced structural stability. Electrochemical testing showed the y = 0.75 V-substituted sample to deliver the highest capacity and capacity retention after 50 cycles. The experimental findings were consistent with the predictions of density functional theory (DFT), where the V centers impart structural stability to the manganese oxide framework upon lithiation. The enhanced electrochemistry of the y = 0.75 V-substituted sample is also attributed to its smaller crystallite size in the form of a nanoplatelet morphology, which promotes facile ion access via reduced Li-ion diffusion path lengths.},
doi = {10.1021/acs.inorgchem.1c00954},
journal = {Inorganic Chemistry},
number = 14,
volume = 60,
place = {United States},
year = {Thu Jul 08 00:00:00 EDT 2021},
month = {Thu Jul 08 00:00:00 EDT 2021}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Synthesis of cryptomelane type α-MnO 2 (K x Mn 8 O 16 ) cathode materials with tunable K + content: the role of tunnel cation concentration on electrochemistry
journal, January 2017
- Poyraz, Altug S.; Huang, Jianping; Pelliccione, Christopher J.
- Journal of Materials Chemistry A, Vol. 5, Issue 32
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT
journal, June 2005
- Ravel, B.; Newville, M.
- Journal of Synchrotron Radiation, Vol. 12, Issue 4
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Synthesis and Characterization of Ag−Hollandite Nanofibers and Its Catalytic Application in Ethanol Oxidation
journal, August 2007
- Chen, Junli; Tang, Xingfu; Liu, Junlong
- Chemistry of Materials, Vol. 19, Issue 17
Properties and Promises of Nanosized Insertion Materials for Li-Ion Batteries
journal, February 2012
- Wagemaker, Marnix; Mulder, Fokko M.
- Accounts of Chemical Research, Vol. 46, Issue 5
XANES study of electronic and structural nature of Mn-sites in manganese oxides with catalytic properties
journal, October 2005
- Figueroa, Santiago J. A.; Requejo, Félix G.; Lede, E. J.
- Catalysis Today, Vol. 107-108
The durability of different elements doped manganese dioxide-coated anodes for oxygen evolution in seawater electrolysis
journal, June 2012
- Jiang, Nan; Meng, Hui-min
- Surface and Coatings Technology, Vol. 206, Issue 21
Bridging the gap between tight and loose contacts for soot oxidation by vanadium doping of cryptomelane nanorods catalyst using NO 2 as an oxygen carrier
journal, January 2018
- Kaspera, Wojciech; Indyka, Paulina; Sojka, Zbigniew
- Catalysis Science & Technology, Vol. 8, Issue 12
Jahn–Teller distortion and electronic structure of LiMn2O4
journal, April 2009
- Ouyang, C. Y.; Shi, S. Q.; Lei, M. S.
- Journal of Alloys and Compounds, Vol. 474, Issue 1-2
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Nanostructured Mn-based oxides for electrochemical energy storage and conversion
journal, January 2015
- Zhang, Kai; Han, Xiaopeng; Hu, Zhe
- Chemical Society Reviews, Vol. 44, Issue 3
A pre-edge analysis of Mn K-edge XANES spectra to help determine the speciation of manganese in minerals and glasses
journal, July 2008
- Chalmin, E.; Farges, F.; Brown, G. E.
- Contributions to Mineralogy and Petrology, Vol. 157, Issue 1
2D vanadium doped manganese dioxides nanosheets for pseudocapacitive energy storage
journal, January 2015
- Hu, Zhimi; Xiao, Xu; Huang, Liang
- Nanoscale, Vol. 7, Issue 38
Local Atomic Arrangement and Electronic Structure of Nanocrystalline Transition Metal Oxides Determined by X-ray Absorption Spectroscopy
journal, June 2003
- Hwang, Seong-Ju; Choy, Jin-Ho
- The Journal of Physical Chemistry B, Vol. 107, Issue 24
Assignment of pre-edge peaks in K-edge x-ray absorption spectra of 3d transition metal compounds: electric dipole or quadrupole?
journal, November 2008
- Yamamoto, Takashi
- X-Ray Spectrometry, Vol. 37, Issue 6
Structure and properties of Co-doped cryptomelane and its enhanced removal of Pb 2+ and Cr 3+ from wastewater
journal, August 2015
- Li, Hui; Liu, Fan; Zhu, Mengqiang
- Journal of Environmental Sciences, Vol. 34
Unveiling the Structural Evolution of Ag 1.2 Mn 8 O 16 under Coulombically Controlled (De)Lithiation
journal, January 2018
- Huang, Jianping; Hu, Xiaobing; Brady, Alexander B.
- Chemistry of Materials, Vol. 30, Issue 2
Vanadium-substituted porous manganese oxides with Li-ion intercalation properties
journal, February 2011
- Gulbinska, M. K.; Suib, S. L.
- Journal of Power Sources, Vol. 196, Issue 4
Natural widths of atomic K and L levels, K α X‐ray lines and several K L L Auger lines
journal, April 1979
- Krause, M. O.; Oliver, J. H.
- Journal of Physical and Chemical Reference Data, Vol. 8, Issue 2
Vanadium Speciation by XANES Spectroscopy: A Three-Dimensional Approach
journal, August 2014
- Levina, Aviva; McLeod, Andrew I.; Lay, Peter A.
- Chemistry - A European Journal, Vol. 20, Issue 38
GSAS-II : the genesis of a modern open-source all purpose crystallography software package
journal, March 2013
- Toby, Brian H.; Von Dreele, Robert B.
- Journal of Applied Crystallography, Vol. 46, Issue 2
-edge absorption spectra of selected vanadium compounds
journal, November 1984
- Wong, J.; Lytle, F. W.; Messmer, R. P.
- Physical Review B, Vol. 30, Issue 10
Significant enhancement of catalytic activities of manganese oxide octahedral molecular sieve by marginal amount of doping vanadium
journal, May 2010
- Tang, Xingfu; Li, Junhua; Hao, Jiming
- Catalysis Communications, Vol. 11, Issue 10, p. 871-875
R factors in Rietveld analysis: How good is good enough?
journal, March 2006
- Toby, Brian H.
- Powder Diffraction, Vol. 21, Issue 1
Enhancement of Catalytic Activities of Octahedral Molecular Sieve Manganese Oxide for Total and Preferential CO Oxidation through Vanadium Ion Framework Substitution
journal, April 2013
- Genuino, Homer C.; Meng, Yongtao; Horvath, Dayton T.
- ChemCatChem, Vol. 5, Issue 8
New Methodological Approach for the Vanadium K-Edge X-ray Absorption Near-Edge Structure Interpretation: Application to the Speciation of Vanadium in Oxide Phases from Steel Slag
journal, May 2007
- Chaurand, Perrine; Rose, Jérôme; Briois, Valérie
- The Journal of Physical Chemistry B, Vol. 111, Issue 19
Pulsed laser deposition of vanadium-doped manganese oxide thin films for supercapacitor applications
journal, April 2013
- Yang, Dongfang
- Journal of Power Sources, Vol. 228
Raman spectra of natural manganese oxides
journal, March 2019
- Bernardini, Simone; Bellatreccia, Fabio; Casanova Municchia, Annalaura
- Journal of Raman Spectroscopy
Vanadium-doped MnO2 for efficient room-temperature catalytic decomposition of ozone in air
journal, August 2019
- Yang, Yajie; Zhang, Pengyi; Jia, Jingbo
- Applied Surface Science, Vol. 484
The effects of vanadium substitution on one-dimensional tunnel structures of cryptomelane: Combined TEM and DFT study
journal, May 2020
- Yang, Shi-Ze; Tallman, Killian R.; Liu, Ping
- Nano Energy, Vol. 71
Capacity Retention for (De)lithiation of Silver Containing α-MnO 2 : Impact of Structural Distortion and Transition Metal Dissolution
journal, January 2018
- Huang, Jianping; Housel, Lisa M.; Quilty, Calvin D.
- Journal of The Electrochemical Society, Vol. 165, Issue 11
Synthesis and Characterization of Octahedral Molecular Sieves (OMS-2) Having the Hollandite Structure
journal, June 1994
- DeGuzman, Roberto N.; Shen, Yan-Fei; Neth, Edward J.
- Chemistry of Materials, Vol. 6, Issue 6
Synthesis of Cation and Water Free Cryptomelane Type OMS-2 Cathode Materials: The Impact of Tunnel Water on Electrochemistry
journal, January 2017
- Poyraz, Altug S.; Huang, Jianping; Zhang, Bingjie
- MRS Advances, Vol. 2, Issue 7
Synthetic Control of Composition and Crystallite Size of Silver Hollandite, Ag x Mn 8 O 16 : Impact on Electrochemistry
journal, September 2012
- Takeuchi, Kenneth J.; Yau, Shali Z.; Menard, Melissa C.
- ACS Applied Materials & Interfaces, Vol. 4, Issue 10
Improvement of the electrochemical performance of nanosized α-MnO2 used as cathode material for Li-batteries by Sn-doping
journal, October 2011
- Hashem, A. M.; Abdel-Latif, A. M.; Abuzeid, H. M.
- Journal of Alloys and Compounds, Vol. 509, Issue 40
Ab initio and experimental pre-edge investigations of the Mn -edge XANES in oxide-type materials
journal, April 2005
- Farges, François
- Physical Review B, Vol. 71, Issue 15
Determination of Mn valence states in mixed-valent manganates by XANES spectroscopy
journal, May 2012
- Manceau, A.; Marcus, M. A.; Grangeon, S.
- American Mineralogist, Vol. 97, Issue 5-6
Asynchronous Crystal Cell Expansion during Lithiation of K + -Stabilized α-MnO 2
journal, April 2015
- Yuan, Yifei; Nie, Anmin; Odegard, Gregory M.
- Nano Letters, Vol. 15, Issue 5
Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965
- Kohn, W.; Sham, L. J.
- Physical Review, Vol. 140, Issue 4A, p. A1133-A1138
Structural and Electrochemical Characterization of Vanadium-Doped LiFePO 4 Cathodes for Lithium-Ion Batteries
journal, January 2013
- Moretti, Arianna; Giuli, Gabriele; Nobili, Francesco
- Journal of The Electrochemical Society, Vol. 160, Issue 6
Development and utility of manganese oxides as cathodes in lithium batteries
journal, March 2007
- Johnson, Christopher S.
- Journal of Power Sources, Vol. 165, Issue 2
Accurate and efficient algorithm for Bader charge integration
journal, February 2011
- Yu, Min; Trinkle, Dallas R.
- The Journal of Chemical Physics, Vol. 134, Issue 6
Vanadium-Substituted Tunnel Structured Silver Hollandite (Ag 1.2 V x Mn 8– x O 16 ): Impact on Morphology and Electrochemistry
journal, March 2020
- Smith, Paul F.; Wang, Lei; Bock, David C.
- Inorganic Chemistry, Vol. 59, Issue 6
Ambient redox synthesis of vanadium-doped manganese dioxide nanoparticles and their enhanced zinc storage properties
journal, May 2017
- Alfaruqi, Muhammad Hilmy; Islam, Saiful; Mathew, Vinod
- Applied Surface Science, Vol. 404
The Effect of Silver Ion Occupancy on Hollandite Lattice Structure
journal, January 2018
- Brady, Alexander B.; Huang, Jianping; Durham, Jessica L.
- MRS Advances, Vol. 3, Issue 10
Capture Lithium in αMnO 2 : Insights from First Principles
journal, October 2012
- Ling, Chen; Mizuno, Fuminori
- Chemistry of Materials, Vol. 24, Issue 20
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Probing the Li Insertion Mechanism of ZnFe 2 O 4 in Li-Ion Batteries: A Combined X-Ray Diffraction, Extended X-Ray Absorption Fine Structure, and Density Functional Theory Study
journal, May 2017
- Zhang, Yiman; Pelliccione, Christopher J.; Brady, Alexander B.
- Chemistry of Materials, Vol. 29, Issue 10
Manganese oxides for lithium batteries
journal, January 1997
- Thackeray, Michael M.
- Progress in Solid State Chemistry, Vol. 25, Issue 1-2
Synthesis, Spectroscopic Characterization, and Observation of Massive Metal—Insulator Transitions in Nanowires of a Nonstoichiometric Vanadium Oxide Bronze
journal, July 2010
- Patridge, Christopher J.; Wu, Tai-Lung; Jaye, Cherno
- Nano Letters, Vol. 10, Issue 7
Metal-Ion (Fe, V, Co, and Ni)-Doped MnO 2 Ultrathin Nanosheets Supported on Carbon Fiber Paper for the Oxygen Evolution Reaction
journal, October 2017
- Ye, Zhiguo; Li, Tao; Ma, Guang
- Advanced Functional Materials, Vol. 27, Issue 44
Effects of vanadium- and iron-doping on crystal morphology and electrochemical properties of 1D nanostructured manganese oxides
journal, December 2008
- Yoo, Ha Na; Park, Dae Hoon; Hwang, Seong-Ju
- Journal of Power Sources, Vol. 185, Issue 2
Special points for Brillouin-zone integrations
journal, June 1976
- Monkhorst, Hendrik J.; Pack, James D.
- Physical Review B, Vol. 13, Issue 12, p. 5188-5192
Thermodynamics of Phase Selection in MnO 2 Framework Structures through Alkali Intercalation and Hydration
journal, February 2017
- Kitchaev, Daniil A.; Dacek, Stephen T.; Sun, Wenhao
- Journal of the American Chemical Society, Vol. 139, Issue 7
Raman spectroscopy study of manganese oxides: Tunnel structures
journal, August 2020
- Post, Jeffrey E.; McKeown, David A.; Heaney, Peter J.
- American Mineralogist, Vol. 105, Issue 8
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Probing the Release and Uptake of Water in α-MnO 2 · x H 2 O
journal, February 2017
- Yang, Zhenzhen; Ford, Denise C.; Park, Joong Sun
- Chemistry of Materials, Vol. 29, Issue 4
An X-ray Absorption Spectroscopy Study of the Cathodic Discharge of Ag 2 VO 2 PO 4 : Geometric and Electronic Structure Characterization of Intermediate phases and Mechanistic Insights
journal, July 2011
- Patridge, Christopher J.; Jaye, Cherno; Abtew, Tesfaye A.
- The Journal of Physical Chemistry C, Vol. 115, Issue 29
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
journal, July 2013
- Jain, Anubhav; Ong, Shyue Ping; Hautier, Geoffroy
- APL Materials, Vol. 1, Issue 1
Inhomogeneous Electron Gas
journal, November 1964
- Hohenberg, P.; Kohn, W.
- Physical Review, Vol. 136, Issue 3B, p. B864-B871
Colossal above-room-temperature metal–insulator switching of a Wadsley-type tunnel bronze
journal, January 2011
- Patridge, Christopher J.; Wu, Tai-Lung; Sambandamurthy, G.
- Chemical Communications, Vol. 47, Issue 15
Deconvolution of Composition and Crystallite Size of Silver Hollandite Nanorods: Influence on Electrochemistry
journal, January 2017
- Durham, Jessica L.; Huang, Jianping; Zhang, Bingjie
- Journal of The Electrochemical Society, Vol. 164, Issue 14
Structural and electrochemical studies of α-manganese dioxide (α-MnO2)
journal, October 1997
- Johnson, C. S.; Dees, D. W.; Mansuetto, M. F.
- Journal of Power Sources, Vol. 68, Issue 2
A Multiplet Analysis of Fe K-Edge 1s → 3d Pre-Edge Features of Iron Complexes
journal, July 1997
- Westre, Tami E.; Kennepohl, Pierre; DeWitt, Jane G.
- Journal of the American Chemical Society, Vol. 119, Issue 27
Advanced Energy Storage Devices: Basic Principles, Analytical Methods, and Rational Materials Design
journal, November 2017
- Liu, Jilei; Wang, Jin; Xu, Chaohe
- Advanced Science, Vol. 5, Issue 1
Tunnel Structured α-MnO 2 with Different Tunnel Cations (H + , K + , Ag + ) as Cathode Materials in Rechargeable Lithium Batteries: The Role of Tunnel Cation on Electrochemistry
journal, January 2017
- Poyraz, Altug S.; Huang, Jianping; Cheng, Shaobo
- Journal of The Electrochemical Society, Vol. 164, Issue 9
Geometric and electronic structure effects in polarized V K -edge absorption near-edge structure spectra of
journal, November 1999
- Šipr, O.; Šimůnek, A.; Bocharov, S.
- Physical Review B, Vol. 60, Issue 20
Micropore-Dominant Vanadium and Iron Co-Doped MnO 2 Hybrid Film Electrodes for High-Performance Supercapacitors
journal, January 2016
- Ye, Zhiguo; Wang, Baofeng; Liu, Guiwu
- Journal of The Electrochemical Society, Vol. 163, Issue 13
Distinctive finite size effects on the phase diagram and metal–insulator transitions of tungsten-doped vanadium(iv) oxide
journal, January 2011
- Whittaker, Luisa; Wu, Tai-Lung; Patridge, Christopher J.
- Journal of Materials Chemistry, Vol. 21, Issue 15
Investigation of α-MnO 2 Tunneled Structures as Model Cation Hosts for Energy Storage
journal, February 2018
- Housel, Lisa M.; Wang, Lei; Abraham, Alyson
- Accounts of Chemical Research, Vol. 51, Issue 3
Vanadium K-Edge X-ray Absorption Spectroscopy as a Probe of the Heterogeneous Lithiation of V 2 O 5 : First-Principles Modeling and Principal Component Analysis
journal, October 2016
- Horrocks, Gregory A.; Braham, Erick J.; Liang, Yufeng
- The Journal of Physical Chemistry C, Vol. 120, Issue 42
Higher Valency Ion Substitution into the Manganese Oxide Framework
journal, June 2004
- Polverejan, Mihai; Villegas, Josanlet C.; Suib, Steven L.
- Journal of the American Chemical Society, Vol. 126, Issue 25
Synthesis, characterization and catalytic activities of vanadium–cryptomelane manganese oxides in low-temperature NO reduction with NH3
journal, February 2011
- Sun, Liang; Cao, Qingqing; Hu, Bingqing
- Applied Catalysis A: General, Vol. 393, Issue 1-2
Electrochemistry of Hollandite α-MnO 2 : Li-Ion and Na-Ion Insertion and Li 2 O Incorporation
journal, June 2013
- Tompsett, David A.; Islam, M. Saiful
- Chemistry of Materials, Vol. 25, Issue 12
Charge localization and ordering in hollandite group oxides: Impact of density functional theory approaches
journal, December 2017
- Kaltak, Merzuk; Fernández-Serra, Marivi; Hybertsen, Mark S.
- Physical Review Materials, Vol. 1, Issue 7
A first principles study of spinel ZnFe 2 O 4 for electrode materials in lithium-ion batteries
journal, January 2017
- Guo, Haoyue; Zhang, Yiman; Marschilok, Amy C.
- Physical Chemistry Chemical Physics, Vol. 19, Issue 38
Transition Metal Substitution of Hollandite α-MnO 2 : Enhanced Potential and Structural Stability on Lithiation from First-Principles Calculation
journal, September 2019
- Brady, Alexander B.; Tallman, Killian R.; Takeuchi, Esther S.
- The Journal of Physical Chemistry C, Vol. 123, Issue 41
Symmetry and cation displacements in hollandites: structure refinements of hollandite, cryptomelane and priderite
journal, April 1982
- Post, J. E.; Von Dreele, R. B.; Buseck, P. R.
- Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 38, Issue 4
IFEFFIT : interactive XAFS analysis and FEFF fitting
journal, March 2001
- Newville, Matthew
- Journal of Synchrotron Radiation, Vol. 8, Issue 2
Structure and properties of vanadium-doped α-MnO2 and enhanced Pb2+ adsorption phenol/photocatalytic degradation
journal, April 2018
- Chen, Suifeng; Zhang, Shuang; Wang, Tingyu
- Materials Chemistry and Physics, Vol. 208