Amorphous BC5 From First Principles Calculations
| dc.contributor.author | Durandurdu, Murat | |
| dc.date.accessioned | 2025-09-25T10:40:14Z | |
| dc.date.available | 2025-09-25T10:40:14Z | |
| dc.date.issued | 2022 | |
| dc.description.abstract | A boron-substituted amorphous graphite (BC5) network is generated using a first principles molecular dynamics simulation and its atomic structure and electrical and mechanical properties are discussed in details. The network has a layered structure with primarily hexagonal (six membered) rings and its average coordination is about 3.0. The material is a solid solution having a minor amount of B-B homopolar bonds. It is structurally different from the BC5 crystal or monolayers proposed in the literature. The model is a semimetal material based on a generalized gradient approximation with the Hubbard correction (GGA+U) calculation. When its mechanical properties are concerned, they are comparable with those of graphite or amorphous graphite. | en_US |
| dc.description.sponsorship | Abdullah Gul University Support Foundation | en_US |
| dc.description.sponsorship | This work is supported by the Abdullah Gul University Support Foundation. The author knowledges computing time provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRUBA resources) . | en_US |
| dc.identifier.doi | 10.1016/j.jnoncrysol.2022.121743 | |
| dc.identifier.issn | 0022-3093 | |
| dc.identifier.issn | 1873-4812 | |
| dc.identifier.scopus | 2-s2.0-85132339890 | |
| dc.identifier.uri | https://doi.org/10.1016/j.jnoncrysol.2022.121743 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12573/3221 | |
| dc.language.iso | en | en_US |
| dc.publisher | Elsevier | en_US |
| dc.relation.ispartof | Journal of Non-Crystalline Solids | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | Amorphous | en_US |
| dc.subject | Boron Substituted Graphite | en_US |
| dc.subject | Graphite | en_US |
| dc.title | Amorphous BC5 From First Principles Calculations | en_US |
| dc.type | Article | en_US |
| dspace.entity.type | Publication | |
| gdc.author.institutional | Durandurdu, Murat | |
| gdc.author.scopusid | 12244741000 | |
| gdc.author.wosid | Durandurdu, Murat/Abi-4068-2020 | |
| gdc.bip.impulseclass | C4 | |
| gdc.bip.influenceclass | C5 | |
| gdc.bip.popularityclass | C4 | |
| gdc.coar.access | metadata only access | |
| gdc.coar.type | text::journal::journal article | |
| gdc.collaboration.industrial | false | |
| gdc.description.department | Abdullah Gül University | en_US |
| gdc.description.departmenttemp | [Durandurdu, Murat] Abdullah Gul Univ, Dept Nanotechnol Engn, TR-38080 Kayseri, Turkey | en_US |
| gdc.description.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
| gdc.description.scopusquality | Q2 | |
| gdc.description.startpage | 121743 | |
| gdc.description.volume | 592 | en_US |
| gdc.description.woscitationindex | Science Citation Index Expanded | |
| gdc.description.wosquality | Q1 | |
| gdc.identifier.openalex | W4282981829 | |
| gdc.identifier.wos | WOS:000817801200004 | |
| gdc.index.type | WoS | |
| gdc.index.type | Scopus | |
| gdc.oaire.diamondjournal | false | |
| gdc.oaire.impulse | 6.0 | |
| gdc.oaire.influence | 2.7096918E-9 | |
| gdc.oaire.isgreen | false | |
| gdc.oaire.popularity | 6.3001093E-9 | |
| gdc.oaire.publicfunded | false | |
| gdc.oaire.sciencefields | 02 engineering and technology | |
| gdc.oaire.sciencefields | 0210 nano-technology | |
| gdc.oaire.sciencefields | 01 natural sciences | |
| gdc.oaire.sciencefields | 0104 chemical sciences | |
| gdc.openalex.collaboration | National | |
| gdc.openalex.fwci | 0.4443 | |
| gdc.openalex.normalizedpercentile | 0.52 | |
| gdc.opencitations.count | 5 | |
| gdc.plumx.crossrefcites | 5 | |
| gdc.plumx.scopuscites | 6 | |
| gdc.scopus.citedcount | 6 | |
| gdc.virtual.author | Durandurdu, Murat | |
| gdc.wos.citedcount | 6 | |
| relation.isAuthorOfPublication | 6e7caa5b-37d5-4ba9-a823-330345766d1d | |
| relation.isAuthorOfPublication.latestForDiscovery | 6e7caa5b-37d5-4ba9-a823-330345766d1d | |
| relation.isOrgUnitOfPublication | 665d3039-05f8-4a25-9a3c-b9550bffecef | |
| relation.isOrgUnitOfPublication | 03adf3b0-3511-421e-b492-8fe188140fc0 | |
| relation.isOrgUnitOfPublication | ef13a800-4c99-4124-81e0-3e25b33c0c2b | |
| relation.isOrgUnitOfPublication.latestForDiscovery | 665d3039-05f8-4a25-9a3c-b9550bffecef |
Files
Original bundle
1 - 1 of 1
Loading...
- Name:
- 1-s2.0-S0022309322003428-main.pdf
- Size:
- 993.09 KB
- Format:
- Adobe Portable Document Format
- Description:
- Makale Dosyası
License bundle
1 - 1 of 1
No Thumbnail Available
- Name:
- license.txt
- Size:
- 1.44 KB
- Format:
- Item-specific license agreed upon to submission
- Description: