High capacity reversible hydrogen storage in Si substituted and Li decorated C 20 fullerene: Acumen from density functional theory simulations
Saved in:
| Published in | International journal of energy research Vol. 46; no. 14; pp. 19521 - 19537 |
|---|---|
| Main Authors | , , |
| Format | Journal Article |
| Language | English |
| Published |
01.11.2022
|
| Online Access | Get full text |
| ISSN | 0363-907X 1099-114X |
| DOI | 10.1002/er.8524 |
Cover
| Author | Sahu, Sridhar Jaiswal, Ankita Chakraborty, Brahmananda |
|---|---|
| Author_xml | – sequence: 1 givenname: Ankita orcidid: 0000-0002-3772-4104 surname: Jaiswal fullname: Jaiswal, Ankita organization: Computational Materials Research Lab, Department of Physics Indian Institute of Technology (Indian School of Mines) Dhanbad Jharkhand India – sequence: 2 givenname: Brahmananda orcidid: 0000-0001-9611-099X surname: Chakraborty fullname: Chakraborty, Brahmananda organization: High Pressure and Synchrotron Radiation Physics Division Bhabha Atomic Research Centre Mumbai Maharashtra India, Department of Physics Homi Bhabha National Institute Mumbai Maharashtra India – sequence: 3 givenname: Sridhar orcidid: 0000-0001-7945-5187 surname: Sahu fullname: Sahu, Sridhar organization: Computational Materials Research Lab, Department of Physics Indian Institute of Technology (Indian School of Mines) Dhanbad Jharkhand India |
| BookMark | eNqVj7FOwzAQhi1UJFJAvMJtTCl2UihhQxWoAxsM3SLXuSRGjl3d2Uh5CZ6ZBDHBxHTSf5_-X99SLHzwKMSVkislZXGDtLq_LdYnIlOyqnKl1vuFyGR5V-aV3OzPxJL5XcrppzaZ-NzZrgejj9rYOALhBxLbg0Pox4ZChx44BtIdgvXwaoHTgaONKWID2jfwYqFBMxFzsIVCQpucQ0KPD_Bo0jA1tBSGifI8T7TJm2iD1w5ij4FGYDskp-eML8Rpqx3j5c89F9fPT2_bXW4oMBO29ZHsoGmslaxn3RqpnnXL_5D5L3JS_56PpK37w38B7dVvMw |
| CitedBy_id | crossref_primary_10_1016_j_est_2023_108913 crossref_primary_10_1021_acsaem_2c04082 crossref_primary_10_1016_j_ijhydene_2023_06_244 crossref_primary_10_1007_s12633_024_03157_8 crossref_primary_10_1007_s10311_024_01741_3 crossref_primary_10_1016_j_ijhydene_2023_03_141 crossref_primary_10_1016_j_matchemphys_2024_129340 crossref_primary_10_1088_1361_6463_ad75a1 crossref_primary_10_1039_D3CP00776F crossref_primary_10_1139_cjp_2023_0072 |
| Cites_doi | 10.1002/jcc.20823 10.1016/j.ijhydene.2011.06.110 10.1021/acs.inorgchem.0c03730 10.1021/ar00029a004 10.1021/ja983494x 10.1016/j.chemphys.2022.111540 10.1021/nl071436g 10.1016/j.chemphys.2018.03.010 10.1103/PhysRevB.72.045444 10.1016/j.ijhydene.2021.01.177 10.1021/ja0550125 10.1007/s100530050398 10.1002/cphc.201402246 10.1002/cphc.201300548 10.1016/j.ijhydene.2015.05.159 10.1021/cr00005a013 10.1039/D1NJ04096K 10.1039/C7RA12512G 10.1007/s00114-004-0516-x 10.1021/jz3002037 10.1016/S1369-7021(03)00922-2 10.1016/j.ijhydene.2021.01.231 10.1016/j.enpol.2008.08.016 10.1002/anie.198406271 10.1166/jctn.2011.1824 10.1039/C4TA06818A 10.1016/j.ijhydene.2019.12.106 10.1103/PhysRevLett.97.056104 10.1016/j.molstruc.2021.131272 10.1201/9781420065442 10.1016/j.ijhydene.2014.12.033 10.1016/j.ijhydene.2016.10.151 10.1016/j.ijhydene.2021.10.228 10.1038/35024037 10.1002/er.3268 10.1021/la0523816 10.1021/jp2035218 10.1016/j.ijhydene.2020.10.193 10.1007/s00214-007-0310-x 10.1021/ja058330c 10.1016/j.ijhydene.2021.09.219 10.1039/C3MH00098B 10.1021/nl203045v 10.1021/ja00364a005 10.1016/j.cplett.2020.137940 10.1103/PhysRevB.79.041406 10.1016/j.apsusc.2021.150019 10.1016/j.rser.2015.06.040 10.1021/jz1015372 10.1063/1.4905665 10.1016/j.jallcom.2021.162797 10.1038/s41598-018-34245-6 10.1021/cr990029p 10.1142/9789814317665_0038 10.1021/jp077264t 10.1103/PhysRevLett.68.2277 10.1021/jp003435h 10.1080/14693062.2018.1483885 10.1016/j.molstruc.2016.08.012 10.1103/PhysRevLett.95.055501 |
| ContentType | Journal Article |
| DBID | AAYXX CITATION |
| DOI | 10.1002/er.8524 |
| DatabaseName | CrossRef |
| DatabaseTitle | CrossRef |
| DeliveryMethod | fulltext_linktorsrc |
| Discipline | Engineering |
| EISSN | 1099-114X |
| EndPage | 19537 |
| ExternalDocumentID | 10_1002_er_8524 |
| GroupedDBID | .3N .GA .Y3 05W 0R~ 10A 1L6 1OB 1OC 24P 31~ 33P 3SF 3WU 4.4 4ZD 50Y 50Z 51W 51X 52M 52N 52O 52P 52S 52T 52U 52W 52X 5GY 5VS 66C 702 7PT 8-0 8-1 8-3 8-4 8-5 8UM 8WZ 930 A03 A6W AAESR AAEVG AAHHS AAJEY AANHP AAONW AASGY AAXRX AAYXX AAZKR ABCQN ABCUV ABDPE ABEML ABIJN ABJCF ABJNI ABPVW ACAHQ ACBWZ ACCFJ ACCMX ACCZN ACGFS ACIWK ACPOU ACRPL ACSCC ACXBN ACXQS ACYXJ ADBBV ADEOM ADIZJ ADKYN ADMGS ADMLS ADNMO ADOZA ADXAS ADZMN ADZOD AEEZP AEIMD AENEX AEQDE AEUYN AFBPY AFGKR AFKRA AFRAH AFZJQ AGQPQ AI. AIURR AIWBW AJBDE AJXKR ALAGY ALMA_UNASSIGNED_HOLDINGS ALUQN AMBMR AMYDB ARAPS ASPBG ATCPS ATUGU AUFTA AVWKF AZBYB AZFZN AZVAB BAFTC BDRZF BENPR BFHJK BGLVJ BHBCM BHPHI BKSAR BMNLL BMXJE BNHUX BROTX BRXPI BY8 CCPQU CITATION CMOOK CS3 D-E D-F DCZOG DPXWK DR2 DRFUL DRSTM EBS EJD F00 FEDTE G-S G.N GNP GODZA GROUPED_DOAJ H.T H.X H13 HCIFZ HF~ HHY HVGLF HZ~ H~9 IX1 J0M JPC KQQ LATKE LAW LC2 LC3 LEEKS LH4 LITHE LOXES LP6 LP7 LUTES LW6 LYRES M59 M7S MK4 MRFUL MRSTM MSFUL MSSTM MXFUL MXSTM N04 N05 N9A NF~ O66 O9- OIG P2P P2W P2X P4D PALCI PATMY PCBAR PHGZM PHGZT PIMPY PTHSS PYCSY Q.N Q11 QB0 QRW R.K RIWAO RJQFR RNS ROL RX1 RYL SAMSI SUPJJ TN5 UB1 V2E VH1 W8V W99 WBKPD WH7 WIH WIK WLBEL WOHZO WQJ WXSBR WYISQ XG1 XPP XV2 ZZTAW ~02 ~IA ~WT |
| ID | FETCH-crossref_primary_10_1002_er_85243 |
| ISSN | 0363-907X |
| IngestDate | Tue Jul 01 01:34:47 EDT 2025 Thu Apr 24 23:04:34 EDT 2025 |
| IsPeerReviewed | true |
| IsScholarly | true |
| Issue | 14 |
| Language | English |
| LinkModel | OpenURL |
| MergedId | FETCHMERGED-crossref_primary_10_1002_er_85243 |
| ORCID | 0000-0002-3772-4104 0000-0001-9611-099X 0000-0001-7945-5187 |
| ParticipantIDs | crossref_primary_10_1002_er_8524 crossref_citationtrail_10_1002_er_8524 |
| ProviderPackageCode | CITATION AAYXX |
| PublicationCentury | 2000 |
| PublicationDate | 2022-11-00 |
| PublicationDateYYYYMMDD | 2022-11-01 |
| PublicationDate_xml | – month: 11 year: 2022 text: 2022-11-00 |
| PublicationDecade | 2020 |
| PublicationTitle | International journal of energy research |
| PublicationYear | 2022 |
| References | e_1_2_8_28_1 e_1_2_8_24_1 e_1_2_8_47_1 e_1_2_8_26_1 e_1_2_8_49_1 e_1_2_8_68_1 e_1_2_8_3_1 Luo J (e_1_2_8_55_1) 2006; 110 e_1_2_8_5_1 e_1_2_8_7_1 e_1_2_8_9_1 e_1_2_8_20_1 e_1_2_8_43_1 e_1_2_8_66_1 e_1_2_8_22_1 e_1_2_8_45_1 e_1_2_8_64_1 e_1_2_8_62_1 e_1_2_8_41_1 e_1_2_8_60_1 e_1_2_8_17_1 Keith TA (e_1_2_8_63_1) 2011 e_1_2_8_19_1 e_1_2_8_13_1 e_1_2_8_36_1 e_1_2_8_15_1 e_1_2_8_38_1 e_1_2_8_57_1 Koopmans T (e_1_2_8_54_1) 1934; 1 e_1_2_8_70_1 Mechanics S. (e_1_2_8_56_1) Dong H (e_1_2_8_33_1) 2015; 5 e_1_2_8_32_1 e_1_2_8_11_1 e_1_2_8_34_1 e_1_2_8_53_1 e_1_2_8_51_1 e_1_2_8_30_1 e_1_2_8_72_1 e_1_2_8_29_1 e_1_2_8_25_1 e_1_2_8_46_1 e_1_2_8_27_1 e_1_2_8_48_1 e_1_2_8_2_1 e_1_2_8_4_1 e_1_2_8_8_1 e_1_2_8_21_1 e_1_2_8_42_1 e_1_2_8_67_1 e_1_2_8_23_1 e_1_2_8_44_1 e_1_2_8_65_1 e_1_2_8_40_1 e_1_2_8_61_1 e_1_2_8_18_1 e_1_2_8_39_1 e_1_2_8_14_1 e_1_2_8_35_1 e_1_2_8_16_1 e_1_2_8_37_1 Frisch MJ (e_1_2_8_59_1) 2016 Chamorro E (e_1_2_8_69_1) 2003; 107 Lide DR (e_1_2_8_58_1) 2004 e_1_2_8_10_1 e_1_2_8_31_1 e_1_2_8_12_1 Dresselhaus M (e_1_2_8_6_1) 2003 e_1_2_8_52_1 e_1_2_8_73_1 e_1_2_8_50_1 e_1_2_8_71_1 |
| References_xml | – ident: e_1_2_8_61_1 doi: 10.1002/jcc.20823 – ident: e_1_2_8_29_1 doi: 10.1016/j.ijhydene.2011.06.110 – ident: e_1_2_8_13_1 doi: 10.1021/acs.inorgchem.0c03730 – ident: e_1_2_8_68_1 doi: 10.1021/ar00029a004 – ident: e_1_2_8_52_1 doi: 10.1021/ja983494x – volume-title: AIMALL (version 11.02.27, standard) year: 2011 ident: e_1_2_8_63_1 – ident: e_1_2_8_17_1 doi: 10.1016/j.chemphys.2022.111540 – ident: e_1_2_8_16_1 doi: 10.1021/nl071436g – ident: e_1_2_8_41_1 doi: 10.1016/j.chemphys.2018.03.010 – ident: e_1_2_8_25_1 doi: 10.1103/PhysRevB.72.045444 – ident: e_1_2_8_34_1 doi: 10.1016/j.ijhydene.2021.01.177 – ident: e_1_2_8_36_1 doi: 10.1021/ja0550125 – ident: e_1_2_8_49_1 doi: 10.1007/s100530050398 – ident: e_1_2_8_28_1 doi: 10.1002/cphc.201402246 – ident: e_1_2_8_24_1 doi: 10.1002/cphc.201300548 – volume: 5 start-page: 1 issue: 1 year: 2015 ident: e_1_2_8_33_1 article-title: New Ti‐decorated B40 fullerene as a promising hydrogen storage material publication-title: Sci Rep – ident: e_1_2_8_44_1 doi: 10.1016/j.ijhydene.2015.05.159 – ident: e_1_2_8_62_1 doi: 10.1021/cr00005a013 – ident: e_1_2_8_45_1 doi: 10.1039/D1NJ04096K – volume: 1 start-page: 104 issue: 1 year: 1934 ident: e_1_2_8_54_1 article-title: About the assignment of wave functions and eigenvalues to the individual electrons of an atom publication-title: Phys Ther – ident: e_1_2_8_22_1 doi: 10.1039/C7RA12512G – ident: e_1_2_8_10_1 doi: 10.1007/s00114-004-0516-x – ident: e_1_2_8_66_1 – ident: e_1_2_8_39_1 doi: 10.1021/jz3002037 – volume-title: CRC Handbook of Chemistry and Physics year: 2004 ident: e_1_2_8_58_1 – ident: e_1_2_8_8_1 doi: 10.1016/S1369-7021(03)00922-2 – ident: e_1_2_8_35_1 doi: 10.1016/j.ijhydene.2021.01.231 – ident: e_1_2_8_2_1 doi: 10.1016/j.enpol.2008.08.016 – ident: e_1_2_8_72_1 doi: 10.1002/anie.198406271 – ident: e_1_2_8_30_1 doi: 10.1166/jctn.2011.1824 – ident: e_1_2_8_42_1 doi: 10.1039/C4TA06818A – ident: e_1_2_8_18_1 doi: 10.1016/j.ijhydene.2019.12.106 – ident: e_1_2_8_57_1 doi: 10.1103/PhysRevLett.97.056104 – ident: e_1_2_8_43_1 doi: 10.1016/j.molstruc.2021.131272 – ident: e_1_2_8_53_1 doi: 10.1201/9781420065442 – ident: e_1_2_8_31_1 doi: 10.1016/j.ijhydene.2014.12.033 – ident: e_1_2_8_32_1 doi: 10.1016/j.ijhydene.2016.10.151 – ident: e_1_2_8_14_1 doi: 10.1016/j.ijhydene.2021.10.228 – ident: e_1_2_8_48_1 doi: 10.1038/35024037 – ident: e_1_2_8_20_1 doi: 10.1002/er.3268 – ident: e_1_2_8_11_1 – ident: e_1_2_8_12_1 doi: 10.1021/la0523816 – volume: 110 start-page: 12005 issue: 43 year: 2006 ident: e_1_2_8_55_1 article-title: Koopmans' theorem for large molecular systems within density functional theory publication-title: Chem A Eur J – ident: e_1_2_8_27_1 doi: 10.1021/jp2035218 – volume-title: Gaussian 09, Revision E.01 year: 2016 ident: e_1_2_8_59_1 – ident: e_1_2_8_23_1 doi: 10.1016/j.ijhydene.2020.10.193 – volume-title: Thermodynamics, Edited by C. Garrod, PC version ident: e_1_2_8_56_1 – ident: e_1_2_8_60_1 doi: 10.1007/s00214-007-0310-x – ident: e_1_2_8_38_1 doi: 10.1021/ja058330c – ident: e_1_2_8_40_1 doi: 10.1016/j.ijhydene.2021.09.219 – ident: e_1_2_8_70_1 doi: 10.1039/C3MH00098B – ident: e_1_2_8_50_1 doi: 10.1021/nl203045v – ident: e_1_2_8_51_1 doi: 10.1021/ja00364a005 – ident: e_1_2_8_46_1 doi: 10.1016/j.cplett.2020.137940 – ident: e_1_2_8_7_1 – ident: e_1_2_8_19_1 doi: 10.1103/PhysRevB.79.041406 – ident: e_1_2_8_21_1 doi: 10.1016/j.apsusc.2021.150019 – ident: e_1_2_8_4_1 doi: 10.1016/j.rser.2015.06.040 – ident: e_1_2_8_9_1 doi: 10.1021/jz1015372 – ident: e_1_2_8_64_1 doi: 10.1063/1.4905665 – ident: e_1_2_8_15_1 doi: 10.1016/j.jallcom.2021.162797 – ident: e_1_2_8_73_1 doi: 10.1038/s41598-018-34245-6 – ident: e_1_2_8_67_1 doi: 10.1021/cr990029p – ident: e_1_2_8_5_1 doi: 10.1142/9789814317665_0038 – volume: 107 start-page: 7068 issue: 36 year: 2003 ident: e_1_2_8_69_1 article-title: Variation of the electrophilicity index along the reaction path publication-title: Chem A Eur J – volume-title: Basic Research Needs for the Hydrogen Economy year: 2003 ident: e_1_2_8_6_1 – ident: e_1_2_8_37_1 doi: 10.1021/jp077264t – ident: e_1_2_8_71_1 doi: 10.1103/PhysRevLett.68.2277 – ident: e_1_2_8_26_1 doi: 10.1021/jp003435h – ident: e_1_2_8_3_1 doi: 10.1080/14693062.2018.1483885 – ident: e_1_2_8_47_1 doi: 10.1016/j.molstruc.2016.08.012 – ident: e_1_2_8_65_1 doi: 10.1103/PhysRevLett.95.055501 |
| SSID | ssj0009917 |
| Score | 4.6709375 |
| SourceID | crossref |
| SourceType | Index Database Enrichment Source |
| StartPage | 19521 |
| Title | High capacity reversible hydrogen storage in Si substituted and Li decorated C 20 fullerene: Acumen from density functional theory simulations |
| Volume | 46 |
| hasFullText | 1 |
| inHoldings | 1 |
| isFullTextHit | |
| isPrint | |
| link | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwnV1NT9tAEF0FuMChggIibUFzqOBgBWLHHwm3KLRCiHIJSLlF9nqjrKCmchIh-iP6c_r7OuNZ20sUCejFilbZtZx5ntmZvHkrxNcwbbvdpDNB8E78lu-l-M71fExWcHOq2hMVBbIgyN6El3f-1SgYNRp_LdbSYp6cyt8r-0r-x6o4hnalLtl3WLZaFAfwM9oXr2hhvL7JxkTScCSGO0l7aRJjwtSfWqGmz2n-iNMc4j4SK0fjW6ydGXoJpgYUAq2YkDsppZ8xDQwcr-1QNb44L6UoGEp0XBl3oKREdCd2J8bBkqNetPU7M_3THAE2s3e6L0uNlkCF4m5DozJUVaOvYj17ipkykN3rec0gYuIBpgl8JjZ6R6LcWqWEYTxdFFXcXKfTOLcLGZgDu1Uho2zg6rQwVx9xaGJ_TAKimLKNbIdtapYGmL7lft1ewP3WJpbTf4TRykDBwrMqP-0G3MP9Uop7KURWxEUWefbGKh_TxDWx4UUR0QM2-hc_roe13HOvOOu5eiRu16apZ-ae1j7I2tDcbosPJhOBPsNqRzRU9lFsWfqUu-IPAQxKgEENMCgBBgZgoDMYarAABmghuNZQAQwG4LWhAtg5MLyA4AUGXlDDCxheYMFrT5x8_3Y7uGyVjzT-xVop46UfrLMv1rPHTB0IUGScOIp6KvZ82Q0TqZKwG8qoE4TSdWVTHFerSaNXT8emPCyv2RTw2m0_vf6Vz2KzBuUXsT7PF-oQ95vz5MgY9x9pg4-N |
| linkProvider | EBSCOhost |
| openUrl | ctx_ver=Z39.88-2004&ctx_enc=info%3Aofi%2Fenc%3AUTF-8&rfr_id=info%3Asid%2Fsummon.serialssolutions.com&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=High+capacity+reversible+hydrogen+storage+in+Si+substituted+and+Li+decorated+C+20+fullerene%3A+Acumen+from+density+functional+theory+simulations&rft.jtitle=International+journal+of+energy+research&rft.au=Jaiswal%2C+Ankita&rft.au=Chakraborty%2C+Brahmananda&rft.au=Sahu%2C+Sridhar&rft.date=2022-11-01&rft.issn=0363-907X&rft.eissn=1099-114X&rft.volume=46&rft.issue=14&rft.spage=19521&rft.epage=19537&rft_id=info:doi/10.1002%2Fer.8524&rft.externalDBID=n%2Fa&rft.externalDocID=10_1002_er_8524 |
| thumbnail_l | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/lc.gif&issn=0363-907X&client=summon |
| thumbnail_m | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/mc.gif&issn=0363-907X&client=summon |
| thumbnail_s | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/sc.gif&issn=0363-907X&client=summon |