DOI: 10.1021/jp7102098. Why Li Doping in MOFs Enhances H<sub>2</sub>Storage Capacity? A Multi-scale Theoretical Study

Why Li Doping in MOFs Enhances H2Storage Capacity? A Multi-scale Theoretical Study

10.1021/jp7102098

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry C (316)

Bibliography

Mavrandonakis, A., Tylianakis, E., Stubos, A. K., & Froudakis, G. E. (2008). Why Li Doping in MOFs Enhances H2Storage Capacity? A Multi-scale Theoretical Study. The Journal of Physical Chemistry C, 112(18), 7290â7294.

Authors 4

A. Mavrandonakis (first)
E. Tylianakis (additional)
A. K. Stubos (additional)
G. E. Froudakis (additional)

References 18 Referenced 148

10.1016/0925-8388(96)02261-X / J. Alloys Comp. by Gross K. J. (1996)
Froudakis, G. E.J. Phys. Condens. Matter2002,14, 453. (10.1088/0953-8984/14/17/201)
{'key': 'jp7102098b00004/jp7102098b00004_1', 'first-page': '1129', 'volume': '300', 'author': 'Rosi N. L.', 'year': '2003', 'journal-title': 'Science'} / Science by Rosi N. L. (2003)
{'key': 'jp7102098b00004/jp7102098b00004_2', 'first-page': '4679', 'volume': '44', 'author': 'Rowsell J. L. C.', 'year': '2005', 'journal-title': 'Angew. Chem., Int. Ed.'} / Angew. Chem., Int. Ed. by Rowsell J. L. C. (2005)
10.1002/adem.200500022 / Adv. Eng. Mater. by Fichtner M. (2005)
10.1039/b515409j / Phys. Chem. Chem. Phys. by Lochan R. C. (2006)
{'key': 'jp7102098b00007/jp7102098b00007_1', 'first-page': '5667', 'volume': '126', 'author': 'Rowsell J. L. C.', 'year': '2004', 'journal-title': 'J. Am. Chem. Soc.'} / J. Am. Chem. Soc. by Rowsell J. L. C. (2004)
{'key': 'jp7102098b00008/jp7102098b00008_1', 'first-page': '2218', 'volume': '114', 'author': 'Barbatti M.', 'year': '2001', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Barbatti M. (2001)
10.1103/PhysRevLett.92.166103 / Phys. Rev. Lett. by Deng W.-Q. (2004)
10.1021/nl070530u / Nano Lett. by Mpourmpakis G. (2007)
{'key': 'jp7102098b00011/jp7102098b00011_1', 'first-page': '9745', 'volume': '128', 'author': 'Sun Q.', 'year': '2006', 'journal-title': 'J. Am. Chem. Soc.'} / J. Am. Chem. Soc. by Sun Q. (2006)
{'key': 'jp7102098b00012/jp7102098b00012_1', 'first-page': '533', 'volume': '1', 'author': 'Froudakis G. E.', 'year': '2001', 'journal-title': 'Nano Lett.'} / Nano Lett. by Froudakis G. E. (2001)
{'key': 'jp7102098b00013/jp7102098b00013_1', 'first-page': '8423', 'volume': '129', 'author': 'Han S. S.', 'year': '2007', 'journal-title': 'J. Am. Chem. Soc.'} / J. Am. Chem. Soc. by Han S. S. (2007)
10.1021/ja0740364 / J. Am. Chem. Soc. by Mulfort K. L. (2007)
10.1021/jp031102p / J. Phys. Chem. A by Hubner O. (2004)
10.1063/1.1944730 / J. Chem. Phys. by Sagara T. (2005)
10.1063/1.1869418 / J. Chem. Phys. by Vitillo J. G. (2005)
10.1080/00268979909482928 / Mol. Phys. by Davy R. (1999)

Dates

Type	When
Created	17 years, 4 months ago (April 16, 2008, 4 a.m.)
Deposited	1 year, 5 months ago (Feb. 24, 2024, 11:28 p.m.)
Indexed	2 weeks, 2 days ago (Aug. 5, 2025, 9:11 a.m.)
Issued	17 years, 4 months ago (April 16, 2008)
Published	17 years, 4 months ago (April 16, 2008)
Published Online	17 years, 4 months ago (April 16, 2008)
Published Print	17 years, 3 months ago (May 1, 2008)

Funders 0

None

BibTeX

@article{Mavrandonakis_2008, title={Why Li Doping in MOFs Enhances H2Storage Capacity? A Multi-scale Theoretical Study}, volume={112}, ISSN={1932-7455}, url={http://dx.doi.org/10.1021/jp7102098}, DOI={10.1021/jp7102098}, number={18}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Mavrandonakis, A. and Tylianakis, E. and Stubos, A. K. and Froudakis, G. E.}, year={2008}, month=apr, pages={7290–7294} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        5
      ]
    ],
    "date-time": "2025-08-05T13:11:10Z",
    "timestamp": 1754399470878
  },
  "reference-count": 18,
  "publisher": "American Chemical Society (ACS)",
  "issue": "18",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2008,
        5,
        1
      ]
    ]
  },
  "DOI": "10.1021/jp7102098",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2008,
        4,
        16
      ]
    ],
    "date-time": "2008-04-16T08:00:39Z",
    "timestamp": 1208332839000
  },
  "page": "7290-7294",
  "source": "Crossref",
  "is-referenced-by-count": 148,
  "title": "Why Li Doping in MOFs Enhances H<sub>2</sub>Storage Capacity? A Multi-scale Theoretical Study",
  "prefix": "10.1021",
  "volume": "112",
  "author": [
    {
      "given": "A.",
      "family": "Mavrandonakis",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Chemistry, University of Crete, P.O. Box 2208, 71003 Heraklion, Crete, Greece, Materials Science and Technology Department, University of Crete, P.O. Box 2208, 71409 Heraklion, Crete, Greece, and NCSR Demokritos 15310 Aghia Paraskevi Attikis, Greece"
        }
      ]
    },
    {
      "given": "E.",
      "family": "Tylianakis",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry, University of Crete, P.O. Box 2208, 71003 Heraklion, Crete, Greece, Materials Science and Technology Department, University of Crete, P.O. Box 2208, 71409 Heraklion, Crete, Greece, and NCSR Demokritos 15310 Aghia Paraskevi Attikis, Greece"
        }
      ]
    },
    {
      "given": "A. K.",
      "family": "Stubos",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry, University of Crete, P.O. Box 2208, 71003 Heraklion, Crete, Greece, Materials Science and Technology Department, University of Crete, P.O. Box 2208, 71409 Heraklion, Crete, Greece, and NCSR Demokritos 15310 Aghia Paraskevi Attikis, Greece"
        }
      ]
    },
    {
      "given": "G. E.",
      "family": "Froudakis",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry, University of Crete, P.O. Box 2208, 71003 Heraklion, Crete, Greece, Materials Science and Technology Department, University of Crete, P.O. Box 2208, 71409 Heraklion, Crete, Greece, and NCSR Demokritos 15310 Aghia Paraskevi Attikis, Greece"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        2008,
        4,
        16
      ]
    ]
  },
  "reference": [
    {
      "key": "jp7102098b00002/jp7102098b00002_1",
      "doi-asserted-by": "crossref",
      "first-page": "206",
      "DOI": "10.1016/0925-8388(96)02261-X",
      "volume": "240",
      "author": "Gross K. J.",
      "year": "1996",
      "journal-title": "J. Alloys Comp."
    },
    {
      "key": "jp7102098b00003/jp7102098b00003_1",
      "doi-asserted-by": "crossref",
      "unstructured": "Froudakis, G. E.J. Phys.\u2009 Condens. Matter2002,14, 453.",
      "DOI": "10.1088/0953-8984/14/17/201"
    },
    {
      "key": "jp7102098b00004/jp7102098b00004_1",
      "first-page": "1129",
      "volume": "300",
      "author": "Rosi N. L.",
      "year": "2003",
      "journal-title": "Science"
    },
    {
      "key": "jp7102098b00004/jp7102098b00004_2",
      "first-page": "4679",
      "volume": "44",
      "author": "Rowsell J. L. C.",
      "year": "2005",
      "journal-title": "Angew. Chem., Int. Ed."
    },
    {
      "key": "jp7102098b00005/jp7102098b00005_1",
      "doi-asserted-by": "crossref",
      "first-page": "445",
      "DOI": "10.1002/adem.200500022",
      "volume": "7",
      "author": "Fichtner M.",
      "year": "2005",
      "journal-title": "Adv. Eng. Mater."
    },
    {
      "key": "jp7102098b00006/jp7102098b00006_1",
      "doi-asserted-by": "crossref",
      "first-page": "1370",
      "DOI": "10.1039/b515409j",
      "volume": "8",
      "author": "Lochan R. C.",
      "year": "2006",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "jp7102098b00007/jp7102098b00007_1",
      "first-page": "5667",
      "volume": "126",
      "author": "Rowsell J. L. C.",
      "year": "2004",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp7102098b00008/jp7102098b00008_1",
      "first-page": "2218",
      "volume": "114",
      "author": "Barbatti M.",
      "year": "2001",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp7102098b00009/jp7102098b00009_1",
      "doi-asserted-by": "crossref",
      "first-page": "166103",
      "DOI": "10.1103/PhysRevLett.92.166103",
      "volume": "92",
      "author": "Deng W.-Q.",
      "year": "2004",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp7102098b00010/jp7102098b00010_1",
      "doi-asserted-by": "crossref",
      "first-page": "1897",
      "DOI": "10.1021/nl070530u",
      "volume": "7",
      "author": "Mpourmpakis G.",
      "year": "2007",
      "journal-title": "Nano Lett."
    },
    {
      "key": "jp7102098b00011/jp7102098b00011_1",
      "first-page": "9745",
      "volume": "128",
      "author": "Sun Q.",
      "year": "2006",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp7102098b00012/jp7102098b00012_1",
      "first-page": "533",
      "volume": "1",
      "author": "Froudakis G. E.",
      "year": "2001",
      "journal-title": "Nano Lett."
    },
    {
      "key": "jp7102098b00013/jp7102098b00013_1",
      "first-page": "8423",
      "volume": "129",
      "author": "Han S. S.",
      "year": "2007",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp7102098b00014/jp7102098b00014_1",
      "doi-asserted-by": "crossref",
      "first-page": "9605",
      "DOI": "10.1021/ja0740364",
      "volume": "129",
      "author": "Mulfort K. L.",
      "year": "2007",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp7102098b00016/jp7102098b00016_1",
      "doi-asserted-by": "crossref",
      "first-page": "3023",
      "DOI": "10.1021/jp031102p",
      "volume": "108",
      "author": "Hubner O.",
      "year": "2004",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp7102098b00017/jp7102098b00017_1",
      "doi-asserted-by": "crossref",
      "first-page": "014701",
      "DOI": "10.1063/1.1944730",
      "volume": "123",
      "author": "Sagara T.",
      "year": "2005",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp7102098b00018/jp7102098b00018_1",
      "doi-asserted-by": "crossref",
      "first-page": "114311",
      "DOI": "10.1063/1.1869418",
      "volume": "122",
      "author": "Vitillo J. G.",
      "year": "2005",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp7102098b00019/jp7102098b00019_1",
      "doi-asserted-by": "crossref",
      "first-page": "1271",
      "DOI": "10.1080/00268979909482928",
      "volume": "97",
      "author": "Davy R.",
      "year": "1999",
      "journal-title": "Mol. Phys."
    }
  ],
  "container-title": "The Journal of Physical Chemistry C",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/jp7102098",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        25
      ]
    ],
    "date-time": "2024-02-25T04:28:52Z",
    "timestamp": 1708835332000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/jp7102098"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2008,
        4,
        16
      ]
    ]
  },
  "references-count": 18,
  "journal-issue": {
    "issue": "18",
    "published-print": {
      "date-parts": [
        [
          2008,
          5,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/jp7102098"
  ],
  "URL": "http://dx.doi.org/10.1021/jp7102098",
  "relation": {},
  "ISSN": [
    "1932-7447",
    "1932-7455"
  ],
  "subject": [],
  "container-title-short": "J. Phys. Chem. C",
  "published": {
    "date-parts": [
      [
        2008,
        4,
        16
      ]
    ]
  }
}