Surfaces of rutile MnO2 are electronically conducting, whereas the bulk material is insulating

Journal of Physical Chemistry C

Volumn 118, Issue 43, 2014, Pages 25009-25015

  Tompsett, David A ^a   Islam, M Saiful ^a  

^a University of Bath   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYST ACTIVITY; DENSITY FUNCTIONAL THEORY; ELECTRIC BATTERIES; ELECTRON TRANSPORT PROPERTIES; LITHIUM; MANGANESE OXIDE; MATERIALS HANDLING EQUIPMENT; OXIDE MINERALS;

ATOMIC-SCALE MECHANISMS; ELECTROCHEMICAL STORAGE; ENERGY STORAGE CAPACITY; METALLIC CONDUCTIVITY; SUPERCONDUCTIVITY AND MAGNETISM; SURFACE BAND STRUCTURES; SURFACES AND INTERFACES; TECHNOLOGICAL SYSTEM;

LITHIUM BATTERIES;

EID: 84949115434     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp507189n     Document Type: Article

References (61)

1. Hansson, G. V.; Uhrberg, R. I. Photoelectron spectroscopy of surface states on semiconductor surfaces Surf. Sci. Rep. 1988, 9, 197-292
2. Kubby, J.; Boland, J. Scanning tunneling microscopy of semiconductor surfaces Surf. Sci. Rep. 1996, 26, 61-204
3. Hwang, H. Y.; Iwasa, Y.; Kawasaki, M.; Keimer, B.; Nagaosa, N.; Tokura, Y. Emergent phenomena at oxide interfaces Nat. Mater. 2012, 11, 103-113
4. 2-a reversible positive electrode for rechargeable lithium batteries Adv. Mater. 2007, 19, 657-660
5. 2 Chem. Mater. 2006, 18, 5618-5623
6. Mathew, V.; Lim, J.; Kang, J.; Gim, J.; Rai, A. K.; Kim, J. Self-assembled mesoporous manganese oxide with high surface area by ambient temperature synthesis and its enhanced electrochemical properties Electrochem. Commun. 2011, 13, 730-733
7. 2 nanostructures of novel shapes and their application in batteries Inorg. Chem. 2006, 45, 2038-2044
8. 2 nanocrystal/acetylene black composites for lithium batteries J. Mater. Chem. 2003, 13, 2989-2995
9. Lang, X.; Hirata, A.; Fujita, T.; Chen, M. Nanoporous metal/oxide hybrid electrodes for electrochemical supercapacitors Nat. Nanotechnol. 2011, 6, 232-236
10. 2 nanostructures J. Phys. Chem. B 2005, 109, 20207-20214
11. 2 on its electrochemical capacitance properties J. Phys. Chem. C 2008, 112, 4406-4417
12. 2/polypyrrole nanorod composites for high-performance supercapacitors J. Mater. Chem. 2011, 21, 10965-10969
13. 2 electrode in rechargeable lithium batteries Angew. Chem., Int. Ed. 2008, 47, 4521-4524
14. 2 air electrode modified with Pd for rechargeability in lithium-air battery J. Electrochem. Soc. 2011, 158, A1483-A1489
15. 4 Solid State Commun. 2004, 132, 181-186
16. Goodenough, J. B.; Kim, Y. Challenges for rechargeable Li batteries Chem. Mater. 2010, 22, 587-603
17. 3 J. Am. Chem. Soc. 2012, 134, 12516-12527
18. 2 from DFT+ U Phys. Rev. B 2012, 86, 205126
19. 2/carbon nanotube array electrodes for high-performance lithium batteries Nano Lett. 2009, 9, 1002-1006
20. Liu, R.; Duay, J.; Lee, S. B. Heterogeneous nanostructured electrode materials for electrochemical energy storage Chem. Commun. 2011, 47, 1384-1404
21. 4 by addition of a carbon source Mater. Lett. 2004, 58, 1788-1791
22. 3 Solid State Ionics 2009, 180, 616-620
23. Thackeray, M. Manganese oxides for lithium batteries Prog. Solid State Chem. 1997, 25, 1-71
24. 2O incorporation Chem. Mater. 2013, 25, 2515-2526
25. Roche, I.; Chainet, E.; Chatenet, M.; Vondrak, J. Carbon-supported manganese oxide nanoparticles as electrocatalysts for the oxygen reduction reaction (ORR) in alkaline medium: Physical characterizations and ORR mechanism J. Phys. Chem. C 2007, 111, 1434-1443
26. Eary, L.; Rai, D. Kinetics of chromium(III) oxidation to chromium(VI) by reaction with manganese-dioxide Environ. Sci. Technol. 1987, 21, 1187-1193
27. Weaver, R.; Hochella, M.; Ilton, E. Dynamic processes occurring at the Cr-aq(III)-Manganite (γ-MnOOH) interface: Simultaneous adsorption, microprecipitation, oxidation/reduction, and dissolution Geochim. Cosmochim. Acta 2002, 66, 4119-4132
28. 3, with constraints on reaction mechanism Geochim. Cosmochim. Acta 1998, 62, 2097-2110
29. Zhu, M.; Paul, K. W.; Kubicki, J. D.; Sparks, D. L. Quantum chemical study of arsenic (III, V) adsorption on Mn-oxides: Implications for arsenic(III) oxidation Environ. Sci. Technol. 2009, 43, 6655-6661
30. El-Deab, M. S.; Awad, M. I.; Mohammad, A. M.; Ohsaka, T. Enhanced water electrolysis: Electrocatalytic generation of oxygen gas at manganese oxide nanorods modified electrodes Electrochem. Commun. 2007, 9, 2082-2087
31. 2 battery with alkyl carbonate electrolytes J. Am. Chem. Soc. 2011, 133, 8040-8047
32. 2 batteries in non-aqueous electrolyte J. Power Sources 2011, 196, 5674-5678
33. 2 batteries with organic carbonate electrolytes J. Power Sources 2011, 196, 3894-3899
34. Mizuno, F.; Nakanishi, S.; Kotani, Y.; Yokoishi, S.; Iba, H. Rechargeable Li-air batteries with carbonate-based liquid electrolytes Electrochemistry 2010, 78, 403-405 50th Battery Symposium in Japan, Kyoto, Japan, Nov 30-Dec 02, 2009.
35. Jung, H.-G.; Hassoun, J.; Park, J.-B.; Sun, Y.-K.; Scrosati, B. An improved high-performance lithium-air battery Nat. Chem. 2012, 4, 579-585
36. 2 battery Science 2012, 337, 563-566
37. 2 surfaces and vacancy formation for high electrochemical and catalytic performance J. Am. Chem. Soc. 2014, 136, 1418-1426
38. Zhang, H.; Cao, G.; Wang, Z.; Yang, Y.; Shi, Z.; Gu, Z. Growth of manganese oxide nanoflowers on vertically-aligned carbon nanotube arrays for high-rate electrochemical capacitive energy storage Nano Lett. 2008, 8, 2664-2668
39. 2: The important role of surface to bulk ion migration Chem. Mater. 2013, 25, 536-541
40. Wolf, S. A.; Awschalom, D. D.; Buhrman, R. A.; Daughton, J. M.; von Molnár, S.; Roukes, M. L.; Chtchelkanova, A. Y.; Treger, D. M. Spintronics: A spin-based electronics vision for the future Science 2001, 294, 1488-1495
41. 2 Acta Crystallagr. B 1976, 32, 2200-2204
42. 2 J. Phys. Soc. Jpn. 2004, 73, 3444-3447
43. Oku, M.; Hirokawa, K.; Ikeda, S. X-ray photoelectron spectroscopy of manganese-oxygen systems J. Electron Spectrosc. 1975, 7, 465-473
44. 2(110) by oxygen plasma assisted molecular beam epitaxy Surf. Sci. 1999, 420, 123-133
45. 2 thin films grown by plasma-assisted molecular beam epitaxy J. Phys. Chem. C 2008, 112, 15526-15531
46. Maphanga, R.; Parker, S.; Ngoepe, P. Atomistic simulation of the surface structure of electrolytic manganese dioxide Surf. Sci. 2009, 603, 3184-3190
47. 2 surfaces J. Phys. Chem. C 2011, 115, 16992-17008
48. 2 surfaces J. Phys. Chem. C 2012, 116, 11589-11605
49. 2 (211) and (221) surfaces for an oxygen reduction reaction Chem. Phys. Lett. 2012, 539-540, 89-93
50. Kresse, G.; Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys. Rev. B 1996, 54, 11169-11186
51. Perdew, J.; Burke, K.; Ernzerhof, M. Generalized gradient approximation made simple Phys. Rev. Lett. 1996, 77, 3865-3868
52. Anisimov, V. I.; Gunnarsson, O. Density-functional calculation of effective Coulomb interactions in metals Phys. Rev. B 1991, 43, 7570-7574
53. Madsen, G.; Novak, P. Charge order in magnetite. An LDA+U study Europhys. Lett. 2005, 69, 777-783
54. Schwarz, K.; Blaha, P. Solid state calculations using WIEN2k Comput. Mater. Sci. 2003, 28, 259-273
55. Antonides, E.; Janse, E. C.; Sawatzky, G. A. LMM Auger spectra of Cu, Zn, Ga, and Ge. I. Transition probabilities, term splittings, and effective Coulomb interaction Phys. Rev. B 1977, 15, 1669-1679
56. Anisimov, V. I.; Zaanen, J.; Andersen, O. K. Band theory and Mott insulators: Hubbard U instead of Stoner I Phys. Rev. B 1991, 44, 943-954
57. Ylvisaker, E. R.; Pickett, W. E.; Koepernik, K. Anisotropy and magnetism in the LSDA + U method Phys. Rev. B 2009, 79, 035103
58. 2 J. Phys. Chem. C 2009, 113, 7322-7328
59. 2: Atomic geometry, ligand coordination, and the effect of adsorbed hydrogen Phys. Rev. B 1981, 23, 6280-6287
60. Radin, M. D.; Rodriguez, J. F.; Tian, F.; Siegel, D. J. Lithium peroxide surfaces are metallic, while lithium oxide surfaces are not J. Am. Chem. Soc. 2012, 134, 1093-1103
61. 4 electrodes Electrochem. Solid-State Lett. 2002, 5, A35-A38