journal article·2023-04

An atomic/molecular-level strategy for the design of a preferred nitrogen-doped carbon nanotube cathode for Li-O2 batteries

Xiaoping Yi, Xunliang Liu, Juan Fang, Hailong Huo, Ruifeng Dou, Zhi Wen, Wenning Zhou

Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: Advancements in Battery Materials · Advanced Battery Materials and Technologies · Graphene research and applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (79)

Show source-provided references
1. Aprotic and aqueous Li–O2 batteries10.1021/cr400573b ↗
2. Quantifying the promise of lithium–air batteries for electric vehicles10.1039/c3ee43870h ↗
3. Quantifying the promise of 'beyond' Li–ion batteries10.1088/2053-1613/2/4/045002 ↗
4. Advances in understanding mechanisms underpinning lithium–air batteries10.1038/nenergy.2016.128 ↗
5. Recent advances in understanding of the mechanism and control of Li2O2 formation in aprotic Li–O2 batteries10.1039/C7CS00255F ↗
6. Temperature dependence of the oxygen reduction mechanism in nonaqueous Li–O2 Batteries10.1021/acsenergylett.7b00845 ↗
7. Nonaqueous Li–Air Batteries: A Status Report10.1021/cr500054y ↗
8. Promoting formation of noncrystalline Li2O2 in the Li–O2 battery with RuO2 nanoparticles10.1021/nl4020952 ↗
9. Lithium-Air Batteries: Air-electrochemistry and anode stabilization10.1021/acs.accounts.0c00772 ↗
10. Lithium and oxygen vacancies and their role in Li2O2 charge transport in Li–O2 batteries10.1039/C3EE42446D ↗
11. Evolution of discharge products on carbon nanotube cathodes in Li–O2 batteries unraveled by molecular dynamics and density functional theory10.1021/acscatal.2c00409 ↗
12. Unraveling the control mechanism of carbon nanotubes on the oxygen reduction reaction and product growth behavior in lithium–air batteries10.1021/acsaem.0c02635 ↗
13. The role of air–electrode structure on the incorporation of immiscible PFCs in nonaqueous Li–O2 battery10.1021/acsami.7b00076 ↗
14. Solvating additives drive solution-mediated electrochemistry and enhance toroid growth in non-aqueous Li-O2 batteries10.1038/nchem.2132 ↗
15. Ab initio investigation of the oxygen reduction reaction activity on noble metal (Pt, Au, Pd), Pt3M (M = Fe Co, Ni, Cu) and Pd3M (M = Fe Co, Ni, Cu) alloy surfaces, for Li-O2 cells10.1016/j.jpowsour.2016.04.054 ↗
16. Carbon nanotube-encapsulated noble metal nanoparticle hybrid as a cathode material for Li–oxygen batteries10.1002/adfm.201400921 ↗
17. Reversibility of noble metal-catalyzed aprotic Li–O2 batteries10.1021/acs.nanolett.5b03510 ↗
18. Carbon materials for chemical capacitive energy storage10.1002/adma.201100984 ↗
19. Carbon-based materials as supercapacitor electrodes10.1039/b813846j ↗
20. Fluorinated multi-walled carbon nanotubes as cathode materials of lithium and sodium primary batteries: effect of graphitization of carbon nanotubes10.1039/C8TA12074A ↗
21. Improved electrocatalytic activity of δ-MnO2@MWCNTs by inducing the oriented growth of oxygen reduction products in Li–O2 batteries10.1016/j.nanoen.2019.01.089 ↗
22. Unexpected Li2O2 film growth on carbon nanotube electrodes with CeO2 nanoparticles in Li–O2 batteries10.1021/acs.nanolett.5b05006 ↗
23. Three-dimensional nanofibrous air electrode assembled with carbon nanotubes-bridged hollow Fe2O3 nanoparticles for high-performance Lithium–oxygen batteries10.1021/acsami.7b15421 ↗
24. Characterization of surface electrostatic potentials of some (5,5) and (n,1) carbon and boron/nitrogen model nanotubes10.1021/nl020222q ↗
25. Defects in carbon nanotubes10.1021/ar010166k ↗
26. How nano are nanocomposites?10.1021/ma070356w ↗
27. Multiscale modeling of size-dependent elastic properties of carbon nanotube/polymer nanocomposites with interfacial imperfections10.1016/j.polymer.2011.11.052 ↗
28. Direct measurements of interfacial shear strength of multi-walled carbon nanotube/PEEK composite using a nano-pullout method10.1016/j.compscitech.2011.04.014 ↗
29. Facile preparation of unique three-dimensional (3D) α-MnO2/MWCNTs macroporous hybrid as the high-performance cathode of rechargeable Li–O2 batteries10.1007/s12274-018-2182-x ↗
30. Carbon nanotube/Co3O4 nanocomposites selectively coated by polyaniline for high performance air electrodes10.1038/s41598-017-09219-9 ↗
31. High oxygen-reduction activity and durability of nitrogen-doped graphene, Energ
32. Biomimetic mineralization of vertical N-doped carbon nanotubes10.1039/C0CC04237D ↗
33. Nitrogen-doped carbon nanotube arrays with high electrocatalytic activity for oxygen reduction10.1126/science.1168049 ↗
34. Nitrogen-doped carbon nanotubes as cathode for lithium–air batteries10.1016/j.elecom.2011.04.004 ↗
35. Effects of nitrogen-doped carbon nanotubes on the discharge performance of Li–air batteries10.1016/j.carbon.2013.10.066 ↗
36. IrO2 nanoparticles highly dispersed on nitrogen-doped carbon nanotubes as an efficient cathode catalyst for high-performance Li–O2 batteries10.1016/j.ceramint.2017.07.144 ↗
37. An effective integrated design for enhanced cathodes of Ni foam-supported Pt/carbon nanotubes for Li-O2 batteries10.1021/am502411y ↗
38. Long life rechargeable Li-O2 batteries enabled by enhanced charge transfer in nanocable-like Fe@N-doped carbon nanotube catalyst10.1007/s40843-017-9021-6 ↗
39. Trends in the Adsorption of oxygen and Li2O2 on transition-metal carbide surfaces: A theoretical study10.1021/acs.jpcc.9b10863 ↗
40. Nucleation and growth of lithium peroxide in the Li–O2 battery10.1021/acs.nanolett.5b02149 ↗
41. Toward N-doped graphene via solvothermal synthesis10.1021/cm102666r ↗
42. Kinetics of oxygen reduction in aprotic Li–O2 cells: A model-based study10.1021/jz5018202 ↗
43. Effect of TiC surface oxide overlayer on the control of LixOy behavior in lithium–oxygen batteries: Implications for cathode catalyst design10.1016/j.apsusc.2021.150785 ↗
44. Computational Insights into LixOy formation, nucleation, and adsorption on carbon nanotube electrodes in nonaqueous Li–O2 batteries10.1021/acs.jpclett.9b03757 ↗
45. Mechanistic evaluation of Li2O2 adsorption on carbon nanotube electrodes: A theoretical study10.1016/j.apsusc.2019.145050 ↗
46. Nitrogen-doped graphene foams as metal-free counter electrodes in high-performance dye-sensitized dolar cells10.1002/anie.201207277 ↗
47. In situ grown nickel selenide on graphene nanohybrid electrodes for high energy density asymmetric supercapacitors10.1039/C8NR06345A ↗
48. Adsorption mechanisms of lithium oxides (LixO2) on a graphene-based electrode: A density functional theory approach10.1016/j.apsusc.2015.05.119 ↗
49. Computational insights into oxygen reduction reaction and initial Li2O2 nucleation on pristine and N-doped graphene in Li–O2 batteries10.1021/acscatal.5b00332 ↗
50. Understanding the catalytic activity of the preferred nitrogen configuration on the carbon nanotube surface and its implications for Li–O2 batteries10.1021/acs.jpcc.1c07024 ↗
51. Effect of oxygen adsorbability on the control of Li2O2 growth in Li–O2 batteries: Implications for cathode catalyst design10.1016/j.nanoen.2017.04.022 ↗
52. Electronic structure of lithium peroxide clusters and relevance to lithium–air batteries10.1021/jp306024f ↗
53. Adsorption of Li2O2, Na2O2, and NaO2 on TiC (111) surface for metal–air rechargeable batteries: A theoretical study10.1021/acs.jpcc.8b01983 ↗
54. Oxygen evolution reaction on pristine and oxidized TiC (100) Surface in Li–O2 battery10.1021/acs.jpcc.7b12845 ↗
55. Mechanistic evaluation of LixOy formation on δ-MnO2 in nonaqueous Li–air batteries10.1021/acsami.6b05988 ↗
56. Thermomechanical properties of mineralized nitrogen-doped carbon nanotube/polymer nanocomposites by molecular dynamics simulations10.1016/j.compositesb.2019.01.002 ↗
57. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations10.1021/ja00051a040 ↗
58. IM-UFF: Extending the universal force field for interactive molecular modeling10.1016/j.jmgm.2017.08.023 ↗
59. High-voltage and free-standing poly (propylene carbonate)/ Li6.75 La3Zr1.75Ta0.25O12 composite solid electrolyte for wide temperature range and flexible solid lithium ion battery10.1039/C6TA10066J ↗
60. Computational analysis of effect of modification on the interfacial characteristics of a carbon nanotube–polyethylene composite system10.1016/j.apsusc.2008.09.077 ↗
61. Molecular dynamics simulation study of the effect of single-walled carbon nanotube on the enantioseparation ability of a chiral ionic liquid10.1016/j.molliq.2020.112769 ↗
62. Tensile responses of carbon nanotubes-reinforced copper nanocomposites: Molecular dynamics simulation10.1016/j.commatsci.2018.05.012 ↗
63. Generalized Gradient Approximation Made Simple10.1103/PhysRevLett.77.3865 ↗
64. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation10.1103/PhysRevB.46.6671 ↗
65. Nitrogen-doped graphene: beyond single substitution and enhanced molecular sensing10.1038/srep00586 ↗
66. Nitrogen-doped graphene nanosheets as anode materials for lithium ion batteries: a first-principles study10.1039/c2jm00166g ↗
67. Can all nitrogen-doped defects improve the performance of graphene anode materials for lithium-ion batteries?10.1039/c3cp51689j ↗
68. A theoretical study of the interaction of hydrogen and oxygen with palladium or gold adsorbed on pyridine-like nitrogen-doped graphene10.1002/cphc.201402532 ↗
69. Density functional calculations of the13 C NMR chemical shifts in (9,0) single-walled carbon nanotubes10.1021/ja047941m ↗
70. Ab initio study of electronic properties of a armchair (7,7) carbon nanotube10.4236/ampc.2012.23024 ↗
71. Interfacial characteristics of a carbon nanotube-polyimide nanocomposite by molecular dynamics simulation10.1515/ntrev-2020-0012 ↗
72. Adsorption and deposition of Li2O2 on the pristine and oxidized TiC surface by first-principles calculation10.1021/acs.jpcc.5b06492 ↗
73. Adsorption and deposition of Li2O2 on TiC{111} surface10.1021/jz501775a ↗
74. Adsorption mechanisms of lithium oxides (LixO2) on N-doped graphene: a density functional theory study with implications for lithium–air batteries10.1007/s00214-016-1805-0 ↗
75. Electrical conductivity in Li2O2 and its role in determining capacity limitations in non-aqueous Li-O2 batteries10.1063/1.3663385 ↗
76. Tunneling and polaron charge transport through Li2O2 in Li–O2 batteries10.1021/jz401926f ↗
77. Carbon nanotubes–the route toward applications10.1126/science.1060928 ↗
78. Structural, electronic and optical properties of smallest (2,2) carbon nanotube: A plane-wave pseudopotential total energy calculation10.1016/j.theochem.2009.11.041 ↗
79. First-principles study of the (2,2) carbon nanotube10.1103/PhysRevB.71.033404 ↗