The probability of application of various nanostructures of boron nitride as an anode material for Ca-ion battery: a DFT study
Bibliographic record
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 · Advanced Battery Technologies Research
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (42)
Show source-provided references
1. Xu W, Wang J, Ding F, Chen X, Nasybulin E, Zhang Y, Zhang J-G (2014) Lithium metal anodes for rechargeable batteries. Energy Environ Sci 7:513–53710.1039/C3EE40795K ↗
2. Sharma L, Adiga SP, Alshareef HN, Barpanda P (2020) Fluorophosphates: next generation cathode materials for rechargeable batteries. Adv Energy Mater 10:200144910.1002/aenm.202001449 ↗
3. Shi Y, Yang B, Guo X, Wu X, Pang H (2022) Copper sulfides and their composites for high-performance rechargeable batteries. Materials Today Chemistry 23:10067510.1016/j.mtchem.2021.100675 ↗
4. Cui B-F, Han X-P, Hu W-B (2021) Micronanostructured design of dendrite-free zinc anodes and their applications in aqueous zinc-based rechargeable batteries. Small Structures 2:200012810.1002/sstr.202000128 ↗
5. Adil M, Sarkar A, Roy A, Panda MR, Nagendra A, Mitra S (2020) Practical aqueous calcium-ion battery full-cells for future stationary storage. ACS Appl Mater Interfaces 12:11489–1150310.1021/acsami.9b20129 ↗
6. Ji B, He H, Yao W, Tang Y (2021) Recent advances and perspectives on calcium-ion storage: key materials and devices. Adv Mater 33:200550110.1002/adma.202005501 ↗
7. Zhang S, Zhu Y-L, Ren S, Li C, Chen X-B, Li Z, Han Y, Shi Z, Feng S (2023) Covalent organic framework with multiple redox active sites for high-performance aqueous calcium ion batteries. J Am Chem Soc 145:17309–1732010.1021/jacs.3c04657 ↗
8. Novák P, Imhof R, Haas O (1999) Magnesium insertion electrodes for rechargeable nonaqueous batteries — a competitive alternative to lithium? Electrochim Acta 45:351–36710.1016/S0013-4686(99)00216-9 ↗
9. Du M, Zhang F, Zhang X, Dong W, Sang Y, Wang J, Liu H, Wang S (2020) Calcium ion pinned vanadium oxide cathode for high-capacity and long-life aqueous rechargeable zinc-ion batteries, Science China. Chemistry 63:1767–1776
10. Kim S, Yin L, Lee MH, Parajuli P, Blanc L, Fister TT, Park H, Kwon BJ, Ingram BJ, Zapol P (2020) High-voltage phosphate cathodes for rechargeable Ca-ion batteries. ACS Energy Lett 5:3203–321110.1021/acsenergylett.0c01663 ↗
11. Li J, Han C, Ou X, Tang Y (2022) Concentrated electrolyte for high-performance Ca-ion battery based on organic anode and graphite cathode. Angew Chem 134:e20211666810.1002/ange.202116668 ↗
12. Ponrouch A, Frontera C, Bardé F, Palacín MR (2016) Towards a calcium-based rechargeable battery. Nat Mater 15:169–17210.1038/nmat4462 ↗
13. Croguennec L, Palacin MR (2015) Recent achievements on inorganic electrode materials for lithium-ion batteries. J Am Chem Soc 137:3140–315610.1021/ja507828x ↗
14. Darwiche A, Marino C, Sougrati MT, Fraisse B, Stievano L, Monconduit L (2012) Better cycling performances of bulk Sb in Na-ion batteries compared to Li-ion systems: an unexpected electrochemical mechanism. J Am Chem Soc 134:20805–2081110.1021/ja310347x ↗
15. Singh N, Arthur TS, Ling C, Matsui M, Mizuno F (2013) A high energy-density tin anode for rechargeable magnesium-ion batteries. Chem Commun 49:149–15110.1039/C2CC34673G ↗
16. Lipson AL, Pan B, Lapidus SH, Liao C, Vaughey JT, Ingram BJ (2015) Rechargeable Ca-ion batteries: a new energy storage system. Chem Mater 27:8442–844710.1021/acs.chemmater.5b04027 ↗
17. Noei M, Soleymanabadi H, Peyghan AA (2017) Aluminum nitride nanotubes. Chemical Papers 71 (5):881–89310.1007/s11696-016-0015-5 ↗
18. Vessally E, Siadati SA, Hosseinian A, Edjlali L (2017) Selective sensing of ozone and the chemically active gaseous species of the troposphere by using the C20 fullerene and graphene segment. Talanta 162:505–51010.1016/j.talanta.2016.10.010 ↗
19. Rajhi AA, Salih WK, Mekkey SM, Dhahi HA, Shather A, Duhduh AA, Alamri S, Abbas ZS (2023) Development of a drug delivery system for thioguanine-based anticancer drugs for enhancing their effectiveness. Inorganic Chemistry Communications 155:11102210.1016/j.physe.2016.11.010 ↗
20. De Souza L, de Castro GM, Marques L, Belchior J (2021) A DFT investigation of lithium adsorption on graphenes as a potential anode material in lithium-ion batteries. J Mol Graph Model 108:10799810.1016/j.jmgm.2021.107998 ↗
21. Weichi P, Haiyang L, Xuejing Z, Wenming Z, Ebrahimi S (2020) AlN nanotubes and nanosheets as anode material for K-ion batteries: DFT studies. Phys Lett A 384:12639610.1016/j.physleta.2020.126396 ↗
22. Yasin G, Arif M, Mushtaq MA, Shakeel M, Muhammad N, Tabish M, Kumar A, Nguyen TA (2021) Chapter nine - nanostructured anode materials in rechargeable batteries, In: Song H, Venkatachalam R , Nguyen TA, Wu HB, Nguyen-Tri P (eds) Nanobatteries and Nanogenerators, Elsevier, pp 187–21910.1016/B978-0-12-821548-7.00009-9 ↗
23. Khan N, Han G, Mazari SA (2022) Carbon nanotubes-based anode materials for potassium ion batteries: a review. J Electroanal Chem 907:11605110.1016/j.jelechem.2022.116051 ↗
24. Khan AA, Ahmad R, Ahmad I (2021) Silicon carbide and III-nitrides nanosheets: promising anodes for Mg-ion batteries. Mater Chem Phys 257:12378510.1016/j.matchemphys.2020.123785 ↗
25. Saadh MJ, Bravo V, Novay EGZ, Kumar A, Mahmud SF, Salman NAA, Mohammed N, Buenaño L, Elmasry Y (2024) A DFT study on the application of B, N, and BN-doped phagraphene in Na-ion batteries. Diam Relat Mater 141:11064510.1016/j.diamond.2023.110645 ↗
26. Roostaei T, Rahimpour MR, Zhao H, Eisapour M, Chen Z, Hu J (2023) Recent advances and progress in biotemplate catalysts for electrochemical energy storage and conversion. Adv Coll Interface Sci 318:102958. https://doi.org/10.1016/j.cis.2023.10295810.1016/j.cis.2023.102958 ↗
27. Jian T, Chen X, Li S-D, Boldyrev AI, Li J, Wang L-S (2019) Probing the structures and bonding of size-selected boron and doped-boron clusters. Chem Soc Rev 48:3550–359110.1039/C9CS00233B ↗
28. Zubarev DY, Boldyrev AI (2007) Comprehensive analysis of chemical bonding in boron clusters. J Comput Chem 28:251–26810.1002/jcc.20518 ↗
29. Qie Y, Liu J, Wang S, Gong S, Sun Q (2018) C3B monolayer as an anchoring material for lithium-sulfur batteries. Carbon 129:38–4410.1016/j.carbon.2017.11.068 ↗
30. Zhang T, Chen Z, Zhao J, Ding Y (2018) Metal-N4/graphene as an efficient anchoring material for lithium-sulfur batteries: a computational study. Diam Relat Mater 90:72–7810.1016/j.diamond.2018.10.008 ↗
31. Tian Y, Wei D, Jin Y, Barroso J, Lu C, Merino G (2019) Exhaustive exploration of MgB n (n= 10–20) clusters and their anions. Phys Chem Chem Phys 21:6935–694110.1039/C9CP00201D ↗
32. Shakerzadeh E, Van Duong L, Tahmasebi E, Nguyen MT (2019) The scandium doped boron cluster B 27 Sc 2+: a fruit can-like structure. Phys Chem Chem Phys 21:8933–893910.1039/C9CP00892F ↗
33. Tam NM, Van Duong L, Pham HT, Nguyen MT, Pham-Ho MP (2019) Effects of single and double nickel doping on boron clusters: stabilization of tubular structures in B n Ni m, n= 2–22, m= 1, 2. Phys Chem Chem Phys 21:8365–837510.1039/C9CP00762H ↗
34. Pham HT, Duong LV, Nguyen MT (2014) Electronic structure and chemical bonding in the double ring tubular boron clusters. The Journal of Physical Chemistry C 118:24181–2418710.1021/jp507901n ↗
35. Dong X, Jalife S, Vásquez-Espinal A, Ravell E, Pan S, Cabellos JL, W.y. Liang, Z.h. Cui, G, (2018) Merino, Li2B12 and Li3B12: prediction of the smallest tubular and cage-like boron structures. Angew Chem Int Ed 57:4627–463110.1002/anie.201800976 ↗
36. Noei M (2016) Probing the electronic sensitivity of BN and carbon nanotubes to carbonyl sulfide: a theoretical study. J Mol Liq 224:757–76210.1016/j.molliq.2016.10.074 ↗
37. Chai J-D, Head-Gordon M (2008) Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections. Phys Chem Chem Phys 10:6615–662010.1039/b810189b ↗
38. Salzner U, Aydin A (2011) Improved prediction of properties of π-conjugated oligomers with range-separated hybrid density functionals. J Chem Theory Comput 7:2568–258310.1021/ct2003447 ↗
39. Curtiss LA, Redfern PC, Raghavachari K, (2007) Gaussian-4 theory, The Journal of Chemical Physics, 12610.1063/1.2436888 ↗
40. Grimme S (2004) Accurate description of van der Waals complexes by density functional theory including empirical corrections. J Comput Chem 25:1463–147310.1002/jcc.20078 ↗
41. Boys SF, Bernardi F (1970) The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors, Molecular Physics 19:553–566
42. Datta D, Li J, Shenoy VB (2014) Defective graphene as a high-capacity anode material for Na- and Ca-ion batteries. ACS Appl Mater Interfaces 6:1788–179510.1021/am404788e ↗