Electronic, electrical and optical properties of Ag doped CuO through modified Becke-Johnson exchange potential
This study examined the influence of the Ag doping concentration on the structural, electrical and optical properties of copper oxide (CuO), using the density functional theory DFT with Tran-Blaha modified Becke-Johnson (mBJ). Based on the optimized structural parameters, the structural properties,...
Saved in:
| Published in | Superlattices and microstructures Vol. 127; pp. 128 - 138 |
|---|---|
| Main Authors | , , , , |
| Format | Journal Article |
| Language | English |
| Published |
Elsevier Ltd
01.03.2019
|
| Subjects | |
| Online Access | Get full text |
| ISSN | 0749-6036 1096-3677 |
| DOI | 10.1016/j.spmi.2017.12.038 |
Cover
Loading…
| Abstract | This study examined the influence of the Ag doping concentration on the structural, electrical and optical properties of copper oxide (CuO), using the density functional theory DFT with Tran-Blaha modified Becke-Johnson (mBJ). Based on the optimized structural parameters, the structural properties, the band gaps, density of states (DOS), the profiles of the optical spectra and optical properties, including the real and imaginary parts of dielectric function, absorption coefficient, reflectivity and refractive index are obtained and showed a good agreement with experimental results. Beside this, our results indicate that CuO is an antiferromagnetic semiconductor material with an indirect gap about 1.99 eV. This increasing with decreasing Silver concentration. Furthermore, the absorption spectra display excellent physical behavior in the range of visible light which it is in good with agreement with many experimental data. In fact, this confirms the physical characteristics that can present CuO to be used as suitable absorbent material in solar cells.
•Electronic, Electrical and Optical properties of Ag doped copper oxide (CuO).•Properties of band structure, density of state, charge density and optical proprieties are investigated.•Density functional theory are performed using mBJ method. |
|---|---|
| AbstractList | This study examined the influence of the Ag doping concentration on the structural, electrical and optical properties of copper oxide (CuO), using the density functional theory DFT with Tran-Blaha modified Becke-Johnson (mBJ). Based on the optimized structural parameters, the structural properties, the band gaps, density of states (DOS), the profiles of the optical spectra and optical properties, including the real and imaginary parts of dielectric function, absorption coefficient, reflectivity and refractive index are obtained and showed a good agreement with experimental results. Beside this, our results indicate that CuO is an antiferromagnetic semiconductor material with an indirect gap about 1.99 eV. This increasing with decreasing Silver concentration. Furthermore, the absorption spectra display excellent physical behavior in the range of visible light which it is in good with agreement with many experimental data. In fact, this confirms the physical characteristics that can present CuO to be used as suitable absorbent material in solar cells.
•Electronic, Electrical and Optical properties of Ag doped copper oxide (CuO).•Properties of band structure, density of state, charge density and optical proprieties are investigated.•Density functional theory are performed using mBJ method. |
| Author | Abbassi, A. Absike, H. Labrim, H. Hajji, M. Ez-Zahraouy, H. |
| Author_xml | – sequence: 1 givenname: H. surname: Absike fullname: Absike, H. email: AB.hananham@gmail.com organization: LAMCSCI, Faculty of Sciences, Mohammed V University, B.P. 1014, Rabat, Morocco – sequence: 2 givenname: M. surname: Hajji fullname: Hajji, M. organization: LAMCSCI, Faculty of Sciences, Mohammed V University, B.P. 1014, Rabat, Morocco – sequence: 3 givenname: H. surname: Labrim fullname: Labrim, H. organization: National Centre for Energy, Sciences and Nuclear Techniques (CNESTEN), Rabat, Morocco – sequence: 4 givenname: A. surname: Abbassi fullname: Abbassi, A. organization: LAMCSCI, Faculty of Sciences, Mohammed V University, B.P. 1014, Rabat, Morocco – sequence: 5 givenname: H. surname: Ez-Zahraouy fullname: Ez-Zahraouy, H. organization: LAMCSCI, Faculty of Sciences, Mohammed V University, B.P. 1014, Rabat, Morocco |
| BookMark | eNp9kM1OAjEURhuDiYC-gKs-gDO2M7RlEjdI8C8kLHTfdNo7UBzaSVuMvr0DuHLB6n73S85N7hmhgfMOELqlJKeE8vttHrudzQtCRU6LnJTTCzSkpOJZyYUYoCERkyrjpORXaBTjlhBSTagYIr9oQafgndV3GI7ZatVi5Qz2XTrmLvgOQrIQsW_wbI1Nvxs8369w2gS_X2_wzhvb2L58BP0J2ZvfuOgdhm-9UW4NuPMJXLKqvUaXjWoj3PzNMXp_WnzMX7Ll6vl1PltmuiQkZQyqktZQ15QVRrF6wmvTaCZKw0tKGalE09QFU4JWBhgTBW84Zb0KpRWflGNUnK7q4GMM0Mgu2J0KP5ISeRAmt_IgTB6ESVrIXlgPTf9B2iaVrHcpKNueRx9OKPQvfVkIMmoLToOxoVcqjbfn8F-QVIr_ |
| CitedBy_id | crossref_primary_10_1016_j_ssc_2022_114684 crossref_primary_10_1021_acsomega_2c07124 crossref_primary_10_1515_zpch_2019_1473 crossref_primary_10_1063_5_0004272 crossref_primary_10_1134_S1027451019060508 crossref_primary_10_1016_j_mssp_2024_108979 crossref_primary_10_1016_j_jmmm_2025_172980 crossref_primary_10_1007_s10853_023_08506_3 crossref_primary_10_1016_j_physb_2023_415070 crossref_primary_10_1038_s41598_024_64090_9 crossref_primary_10_1016_j_apsusc_2021_150026 crossref_primary_10_1016_j_ceramint_2024_11_506 crossref_primary_10_1016_j_surfin_2021_101269 crossref_primary_10_1007_s10854_023_10120_7 crossref_primary_10_1021_acssuschemeng_9b04181 crossref_primary_10_1140_epjb_s10051_023_00538_7 crossref_primary_10_1002_er_7907 crossref_primary_10_1016_j_ssc_2021_114491 crossref_primary_10_1007_s11270_024_06909_9 crossref_primary_10_1016_j_mseb_2023_116562 crossref_primary_10_1016_j_optmat_2021_111224 crossref_primary_10_1039_D2TC04482J crossref_primary_10_1016_j_mssp_2021_105798 crossref_primary_10_1016_j_rechem_2024_101311 crossref_primary_10_1021_acsomega_2c00240 crossref_primary_10_1140_epjb_s10051_024_00663_x crossref_primary_10_1007_s10854_024_13010_8 crossref_primary_10_1002_er_6572 crossref_primary_10_1016_j_comptc_2023_114376 crossref_primary_10_1515_zpc_19_1473 crossref_primary_10_1016_j_eti_2025_104147 crossref_primary_10_1016_j_chemphys_2021_111221 crossref_primary_10_1134_S1990793124700313 crossref_primary_10_1002_aoc_7024 crossref_primary_10_1016_j_ijleo_2022_169077 crossref_primary_10_1016_j_matchemphys_2024_129099 crossref_primary_10_1016_j_hybadv_2023_100093 crossref_primary_10_1016_j_cocom_2018_e00322 crossref_primary_10_1016_j_heliyon_2023_e17779 crossref_primary_10_1016_j_mtcomm_2024_109398 crossref_primary_10_1016_j_ceramint_2024_05_067 crossref_primary_10_1590_0001_3765202020191442 crossref_primary_10_1016_j_ceramint_2018_09_224 crossref_primary_10_1177_26349833231176838 crossref_primary_10_1080_15421406_2020_1838065 |
| Cites_doi | 10.1103/PhysRevB.73.235206 10.2109/jcersj2.118.1021 10.1103/PhysRevB.52.1433 10.1007/s10854-017-7075-3 10.1016/j.materresbull.2015.03.016 10.1039/C4CP03241A 10.1016/S0010-4655(02)00206-0 10.4028/www.scientific.net/AMR.488-489.129 10.1103/PhysRevB.85.155109 10.1016/j.commatsci.2005.08.012 10.1103/PhysRevB.40.7684 10.1016/j.jallcom.2016.11.338 10.1088/0953-8984/9/4/002 10.1088/0953-8984/24/17/175002 10.1016/j.tsf.2014.09.056 10.1103/PhysRevLett.77.3865 10.1557/opl.2013.1025 10.1103/PhysRevB.44.943 10.1007/s10853-016-9894-7 |
| ContentType | Journal Article |
| Copyright | 2017 Elsevier Ltd |
| Copyright_xml | – notice: 2017 Elsevier Ltd |
| DBID | AAYXX CITATION |
| DOI | 10.1016/j.spmi.2017.12.038 |
| DatabaseName | CrossRef |
| DatabaseTitle | CrossRef |
| DatabaseTitleList | |
| DeliveryMethod | fulltext_linktorsrc |
| Discipline | Chemistry Physics |
| EISSN | 1096-3677 |
| EndPage | 138 |
| ExternalDocumentID | 10_1016_j_spmi_2017_12_038 S0749603617321511 |
| GroupedDBID | --K --M -~X .~1 0R~ 123 1B1 1RT 1~. 1~5 29Q 4.4 457 4G. 5VS 7-5 71M 8P~ 9JN AABXZ AACTN AAEDT AAEDW AAEPC AAIAV AAIKJ AAKOC AALRI AAOAW AAQFI AAQXK AAXUO ABFNM ABJNI ABMAC ABNEU ABXDB ABXRA ABYKQ ACDAQ ACFVG ACGFS ACNNM ACRLP ADBBV ADEZE ADFGL ADMUD AEBSH AEKER AENEX AEZYN AFKWA AFRZQ AFTJW AGHFR AGUBO AGYEJ AHHHB AIEXJ AIKHN AITUG AIVDX AJBFU AJOXV ALMA_UNASSIGNED_HOLDINGS AMFUW AMRAJ ASPBG AVWKF AXJTR AZFZN BBWZM BKOJK BLXMC CAG COF CS3 DM4 DU5 EBS EFBJH EFLBG EJD EO8 EO9 EP2 EP3 FDB FEDTE FGOYB FIRID FNPLU FYGXN G-2 G-Q GBLVA HMV HVGLF HZ~ IHE J1W KOM LG5 M24 M37 MAGPM MO0 N9A NDZJH O-L O9- OAUVE OGIMB OZT P-8 P-9 P2P PC. Q38 R2- RIG RNS ROL RPZ SDF SDG SDP SES SEW SMS SPC SPCBC SPD SPG SSM SSQ SSZ T5K UHS WUQ XPP ZMT ZU3 ~G- AATTM AAXKI AAYWO AAYXX ABWVN ACRPL ACVFH ADCNI ADNMO AEIPS AEUPX AFPUW AFXIZ AGQPQ AGRNS AIGII AIIUN AKBMS AKRWK AKYEP ANKPU BNPGV CITATION SSH |
| ID | FETCH-LOGICAL-c300t-5e931bebb152da5b46bdfc573d63115097ffb25a719de55726f615101aca643 |
| IEDL.DBID | .~1 |
| ISSN | 0749-6036 |
| IngestDate | Tue Jul 01 01:35:08 EDT 2025 Thu Apr 24 22:56:41 EDT 2025 Fri Feb 23 02:28:12 EST 2024 |
| IsPeerReviewed | false |
| IsScholarly | false |
| Keywords | DFT Band gap mBJ Electrical properties CuO Optical properties |
| Language | English |
| LinkModel | DirectLink |
| MergedId | FETCHMERGED-LOGICAL-c300t-5e931bebb152da5b46bdfc573d63115097ffb25a719de55726f615101aca643 |
| PageCount | 11 |
| ParticipantIDs | crossref_primary_10_1016_j_spmi_2017_12_038 crossref_citationtrail_10_1016_j_spmi_2017_12_038 elsevier_sciencedirect_doi_10_1016_j_spmi_2017_12_038 |
| ProviderPackageCode | CITATION AAYXX |
| PublicationCentury | 2000 |
| PublicationDate | March 2019 2019-03-00 |
| PublicationDateYYYYMMDD | 2019-03-01 |
| PublicationDate_xml | – month: 03 year: 2019 text: March 2019 |
| PublicationDecade | 2010 |
| PublicationTitle | Superlattices and microstructures |
| PublicationYear | 2019 |
| Publisher | Elsevier Ltd |
| Publisher_xml | – name: Elsevier Ltd |
| References | Ching, Xu, Wong (bib29) 1989; 40 Heinemann, Eifert, Heiliger (bib37) 2013 Maimaiti, Nolan, Elliott (bib38) 2014 Blaha, Schwarz, Madsen, Kvasnicka, Luitz (bib26) 2001 Mourik, Buhl, Gaigeot (bib27) 2014; 372 Nolan, Elliott (bib39) 2006; 9 Koller, Tran, Blaha (bib30) 2012; 85 Lim, Chua, Jing, Lee, Chi (bib11) 2014; 16 Mishra, Roldan, Leeuw (bib23) 2015 Dahrul, Alatas (bib9) 2016; 33 Rani, Gupta, Kaur, Singh, Kumar, Kumar (bib20) 2016 Klein, Pinedo, Hering, Polity, Janek, Adelhelm (bib1) 2015 Hong, Chen, Huang, Chiu, Huang (bib4) 2015 Klein, Pinedo, Berkes, Janek, Adelhelm (bib2) 2017 Ganga, Seetharaman, Varma, Namboothiri, Santhosh, Copper (bib7) 2016; vol. 6 Ambrosch-draxl, Sofo (bib40) 2006; 175 Khmissi, Sayed, Shaban (bib17) 2016; 51 Physics, Das (bib16) 2014 Nesa, Sharmin, Hossain (bib18) 2017; 28 Anisimov, Aryasetiawan, Lichtenstein (bib31) 1997; 9 Schwarz, Blaha, Madsen (bib21) 2002 Shafiei, Hoshyargar, Lipton-duffin, Piloto, Motta, Mullane (bib3) 2015 Bhaumik, Haque, Karnati, Taufique, Patel, Ghosh (bib6) 2014; 572 Motoyoshi, Oku, Kidowaki, Suzuki, Kikuchi, Kikuchi, Jeyadevan (bib5) 2010; 118 Tahir, Tougaard (bib36) 2012; 24 Shabu, Ezhil, Sanjeeviraja, Ravidhas (bib12) 2015; 68 Prabhin, Jeyasubramanian, Romulus, Singh (bib14) 2017 Anisimov, Zaanen, Andersen (bib32) 1991; 44 A. Umar, L. Dbrowski, M. Szuta, Electronic and Optical Properties of CuO Based on DFT + U and GW Approximation, (n.d.). Perdew, Burke, Ernzerhof (bib28) 28 octobre 1996; 77 Li, Tong, Shi, Shen, Zhang, Yao, Shao (bib10) 2017; 695 Nolan, Elliott (bib34) 2006; 9 Kanagaraj, Baskaran (bib24) 2012; 488–489 Wu, Zhang, Tao (bib33) 2006; 73 Marabelli, Parravicini, Salghetti-Drioli (bib8) 1995; 52 Paper, Salman, Ai (bib19) 2017 Tyuterev, Vast (bib35) 2006; 38 Flohre, Nuys, Leidinger, Koḧler, Carius (bib15) 2013; 1538 Ambrosch-draxl, Sofo (bib13) 2006; 175 Simon, Anisimov, Moreno, Jarrell (bib22) 2013 Ganga (10.1016/j.spmi.2017.12.038_bib7) 2016; vol. 6 Shafiei (10.1016/j.spmi.2017.12.038_bib3) 2015 Schwarz (10.1016/j.spmi.2017.12.038_bib21) 2002 Nolan (10.1016/j.spmi.2017.12.038_bib39) 2006; 9 Nesa (10.1016/j.spmi.2017.12.038_bib18) 2017; 28 Dahrul (10.1016/j.spmi.2017.12.038_bib9) 2016; 33 Anisimov (10.1016/j.spmi.2017.12.038_bib31) 1997; 9 Wu (10.1016/j.spmi.2017.12.038_bib33) 2006; 73 Shabu (10.1016/j.spmi.2017.12.038_bib12) 2015; 68 Tahir (10.1016/j.spmi.2017.12.038_bib36) 2012; 24 Marabelli (10.1016/j.spmi.2017.12.038_bib8) 1995; 52 Li (10.1016/j.spmi.2017.12.038_bib10) 2017; 695 Mourik (10.1016/j.spmi.2017.12.038_bib27) 2014; 372 Lim (10.1016/j.spmi.2017.12.038_bib11) 2014; 16 Maimaiti (10.1016/j.spmi.2017.12.038_bib38) 2014 Nolan (10.1016/j.spmi.2017.12.038_bib34) 2006; 9 Klein (10.1016/j.spmi.2017.12.038_bib1) 2015 Mishra (10.1016/j.spmi.2017.12.038_bib23) 2015 Tyuterev (10.1016/j.spmi.2017.12.038_bib35) 2006; 38 Motoyoshi (10.1016/j.spmi.2017.12.038_bib5) 2010; 118 Ambrosch-draxl (10.1016/j.spmi.2017.12.038_bib13) 2006; 175 Physics (10.1016/j.spmi.2017.12.038_bib16) 2014 Kanagaraj (10.1016/j.spmi.2017.12.038_bib24) 2012; 488–489 Flohre (10.1016/j.spmi.2017.12.038_bib15) 2013; 1538 Ching (10.1016/j.spmi.2017.12.038_bib29) 1989; 40 Blaha (10.1016/j.spmi.2017.12.038_bib26) 2001 Anisimov (10.1016/j.spmi.2017.12.038_bib32) 1991; 44 Heinemann (10.1016/j.spmi.2017.12.038_bib37) 2013 Khmissi (10.1016/j.spmi.2017.12.038_bib17) 2016; 51 Koller (10.1016/j.spmi.2017.12.038_bib30) 2012; 85 Perdew (10.1016/j.spmi.2017.12.038_bib28) 1996; 77 Rani (10.1016/j.spmi.2017.12.038_bib20) 2016 Hong (10.1016/j.spmi.2017.12.038_bib4) 2015 Paper (10.1016/j.spmi.2017.12.038_bib19) 2017 Simon (10.1016/j.spmi.2017.12.038_bib22) 2013 Ambrosch-draxl (10.1016/j.spmi.2017.12.038_bib40) 2006; 175 Prabhin (10.1016/j.spmi.2017.12.038_bib14) 2017 Bhaumik (10.1016/j.spmi.2017.12.038_bib6) 2014; 572 10.1016/j.spmi.2017.12.038_bib25 Klein (10.1016/j.spmi.2017.12.038_bib2) 2017 |
| References_xml | – year: 2016 ident: bib20 article-title: Study of Structural and Optical Properties of Fe Doped Cuo Nanoparticles – start-page: 71 year: 2002 end-page: 76 ident: bib21 article-title: Electronic structure calculations of solids using the WIEN2k package for material sciences publication-title: Comput. Phys. Commun. – reference: A. Umar, L. Dbrowski, M. Szuta, Electronic and Optical Properties of CuO Based on DFT + U and GW Approximation, (n.d.). – volume: 73 year: 2006 ident: bib33 article-title: LSDA+U study of cupric oxide: ekuma and native point defects publication-title: Phys. Rev. B – volume: 85 start-page: 155109 year: 2012 ident: bib30 article-title: Improving the modified Becke-Johnson exchange potential publication-title: Phys. Rev. B – year: 2014 ident: bib16 article-title: Structural and Optical Properties of Ag-doped Copper Oxide Thin Films on Polyethylene Napthalate Substrate Prepared by Low – year: 2013 ident: bib37 article-title: Band Structure and Phase Stability of the Copper Oxides Cu 2 O, Cuo, and Cu 4 O 3 – volume: 695 start-page: 3116 year: 2017 end-page: 3123 ident: bib10 article-title: Reactive plasma deposition of high quality single phase CuO thin films suitable for metal oxide solar cells publication-title: J. Alloy. Comp. – volume: 9 start-page: 767 year: 1997 ident: bib31 article-title: First-Principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA + U method publication-title: J. Phys. Condens. Matter – volume: 40 start-page: 7684 year: 1989 end-page: 7695 ident: bib29 article-title: Ground-state and optical properties of Cu2O and CuO crystals publication-title: Phys. Rev. B – volume: vol. 6 start-page: 1 year: 2016 end-page: 6 ident: bib7 publication-title: Cm 2 V – volume: 28 start-page: 12523 year: 2017 end-page: 12534 ident: bib18 article-title: Structural, morphological, optical and electrical properties of spray deposited zinc doped copper oxide thin films publication-title: J. Mater. Sci. Mater. Electron. – volume: 1538 start-page: 197 year: 2013 end-page: 202 ident: bib15 article-title: CuO and Cu2O nanoparticles for thin film photovoltaics publication-title: Mater. Res. Soc. Symp. Proc. – volume: 372 year: 2014 ident: bib27 article-title: Density functional theory across chemistry, physics and biology publication-title: Phil. Trans. Math. Phys. Eng. Sci. – volume: 9 start-page: 5350 year: 2006 end-page: 5358 ident: bib39 article-title: The P-type conduction mechanism in Cu 2 O: a first principles study – year: 2017 ident: bib19 article-title: Study the Effect of Li-doped CuO Thin Film on its Optical Properties – volume: 118 start-page: 1021 year: 2010 end-page: 1023 ident: bib5 article-title: Structure and photovoltaic activity of cupric oxide-based thin film solar cells publication-title: J. Ceram. Soc. Jpn. – volume: 38 start-page: 350 year: 2006 end-page: 353 ident: bib35 article-title: Murnaghan's equation of state for the electronic ground state energy publication-title: Comput. Mater. Sci. – volume: 175 start-page: 1 year: 2006 end-page: 14 ident: bib13 article-title: Linear optical properties of solids within the full-potential linearized augmented planewave method – volume: 175 start-page: 1 year: 2006 end-page: 14 ident: bib40 article-title: Linear optical properties of solids within the full-potential linearized augmented planewave method – volume: 33 start-page: 661 year: 2016 end-page: 667 ident: bib9 article-title: Preparation and optical properties study of CuO thin film as applied solar cell on LAPAN-IPB Satellite – year: 2015 ident: bib4 article-title: Single-Crystalline Cuo Nanowires for Resistive Random-Access Memory Applications – year: 2013 ident: bib22 article-title: Electronic Structure and Spectra of CuO – year: 2015 ident: bib23 article-title: CuO Surfaces and CO Activation: a Dispersion-corrected DFT + U Study CuO Surfaces and CO2 – volume: 44 start-page: 943 year: 1991 end-page: 954 ident: bib32 article-title: Band theory and mott insulators: hubbard U instead of stoner I publication-title: Phys. Rev. B – year: 2017 ident: bib2 article-title: Kinetics and Degradation Processes of CuO as Conversion Electrode for Sodium-ion Batteries: an Electrochemical Study Combined with Pressure Monitoring and DEMS Kinetics and Degradation Processes of CuO as Conversion Electrode for Sodium-ion Batteries: a – volume: 52 start-page: 1433 year: 1995 end-page: 1436 ident: bib8 article-title: Optical gap of CuO publication-title: Phys. Rev. B – volume: 572 start-page: 126 year: 2014 end-page: 133 ident: bib6 article-title: Copper oxide based nanostructures for improved solar cell efficiency publication-title: Thin Solid Films – volume: 9 start-page: 5350 year: 2006 end-page: 5358 ident: bib34 article-title: The p-type conduction mechanism in Cu 2O: a first principles study – volume: 68 start-page: 1 year: 2015 end-page: 8 ident: bib12 article-title: Assessment of CuO thin films for its suitability as window absorbing layer in solar cell fabrications publication-title: Mater. Res. Bull. – volume: 488–489 start-page: 129 year: 2012 end-page: 132 ident: bib24 article-title: electronic structure studies of CuO multiferroics publication-title: Adv. Mater. Res. – year: 2015 ident: bib1 article-title: Reaction Mechanism and Surface Film Formation of Conversion Materials for Lithium- and Sodium-ion Batteries: a XPS Case Study on Sputtered Copper Oxide (CuO) Thin Film Model Electrodes – start-page: 5 year: 2017 end-page: 9 ident: bib14 article-title: Fabrication of Dye Sensitized Solar Cell Using Chemically Tuned Cuo Nano- Particles Prepared by Sol-Gel Method – start-page: 3036 year: 2014 end-page: 3046 ident: bib38 publication-title: Through Surface Oxygen Vacancy Formation and Hydrogen Adsorption † – volume: 77 start-page: 3865 year: 28 octobre 1996 end-page: 3868 ident: bib28 article-title: Generalized gradient approximation made simple publication-title: Phys. Rev. Lett. – volume: 16 start-page: 25928 year: 2014 end-page: 25934 ident: bib11 article-title: Sol – gel deposited Cu 2 O and CuO thin films for photocatalytic water splitting † publication-title: Phys. Chem. Chem. Phys. – volume: 51 start-page: 5924 year: 2016 end-page: 5938 ident: bib17 article-title: Structural, morphological, optical properties and wettability of spin-coated copper oxide; influences of film thickness, Ni, and (La, Ni ) co-doping publication-title: J. Mater. Sci. – volume: 24 year: 2012 ident: bib36 article-title: Electronic and optical properties of Cu, CuO and Cu 2 O studied by electron spectroscopy publication-title: J. Phys. Condens. Matter – year: 2015 ident: bib3 article-title: Conversion of N-Type CuTCNQ into P-Type Nitrogen-doped CuO and the Implication for Room Temperature Gas Sensing Conversion of N-Type CuTCNQ into P-Type Nitrogen-doped CuO and the Implication for Room Temperature Gas Sensing – year: 2001 ident: bib26 article-title: Wien2k – volume: 73 issue: 23 year: 2006 ident: 10.1016/j.spmi.2017.12.038_bib33 article-title: LSDA+U study of cupric oxide: ekuma and native point defects publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.73.235206 – volume: 118 start-page: 1021 issue: 1383 year: 2010 ident: 10.1016/j.spmi.2017.12.038_bib5 article-title: Structure and photovoltaic activity of cupric oxide-based thin film solar cells publication-title: J. Ceram. Soc. Jpn. doi: 10.2109/jcersj2.118.1021 – volume: 175 start-page: 1 year: 2006 ident: 10.1016/j.spmi.2017.12.038_bib13 article-title: Linear optical properties of solids within the full-potential linearized augmented planewave method – year: 2017 ident: 10.1016/j.spmi.2017.12.038_bib2 – year: 2015 ident: 10.1016/j.spmi.2017.12.038_bib23 – year: 2013 ident: 10.1016/j.spmi.2017.12.038_bib22 – volume: 372 issue: 2011 year: 2014 ident: 10.1016/j.spmi.2017.12.038_bib27 article-title: Density functional theory across chemistry, physics and biology publication-title: Phil. Trans. Math. Phys. Eng. Sci. – year: 2015 ident: 10.1016/j.spmi.2017.12.038_bib3 – volume: 52 start-page: 1433 issue: 3 year: 1995 ident: 10.1016/j.spmi.2017.12.038_bib8 article-title: Optical gap of CuO publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.52.1433 – volume: 28 start-page: 12523 year: 2017 ident: 10.1016/j.spmi.2017.12.038_bib18 article-title: Structural, morphological, optical and electrical properties of spray deposited zinc doped copper oxide thin films publication-title: J. Mater. Sci. Mater. Electron. doi: 10.1007/s10854-017-7075-3 – year: 2013 ident: 10.1016/j.spmi.2017.12.038_bib37 – ident: 10.1016/j.spmi.2017.12.038_bib25 – volume: 68 start-page: 1 year: 2015 ident: 10.1016/j.spmi.2017.12.038_bib12 article-title: Assessment of CuO thin films for its suitability as window absorbing layer in solar cell fabrications publication-title: Mater. Res. Bull. doi: 10.1016/j.materresbull.2015.03.016 – volume: 16 start-page: 25928 year: 2014 ident: 10.1016/j.spmi.2017.12.038_bib11 article-title: Sol – gel deposited Cu 2 O and CuO thin films for photocatalytic water splitting † publication-title: Phys. Chem. Chem. Phys. doi: 10.1039/C4CP03241A – start-page: 71 year: 2002 ident: 10.1016/j.spmi.2017.12.038_bib21 article-title: Electronic structure calculations of solids using the WIEN2k package for material sciences publication-title: Comput. Phys. Commun. doi: 10.1016/S0010-4655(02)00206-0 – year: 2017 ident: 10.1016/j.spmi.2017.12.038_bib19 – year: 2016 ident: 10.1016/j.spmi.2017.12.038_bib20 – year: 2015 ident: 10.1016/j.spmi.2017.12.038_bib1 – year: 2015 ident: 10.1016/j.spmi.2017.12.038_bib4 – volume: 488–489 start-page: 129 year: 2012 ident: 10.1016/j.spmi.2017.12.038_bib24 article-title: Ab initio electronic structure studies of CuO multiferroics publication-title: Adv. Mater. Res. doi: 10.4028/www.scientific.net/AMR.488-489.129 – volume: 85 start-page: 155109 issue: 15 year: 2012 ident: 10.1016/j.spmi.2017.12.038_bib30 article-title: Improving the modified Becke-Johnson exchange potential publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.85.155109 – volume: 38 start-page: 350 issue: 2 year: 2006 ident: 10.1016/j.spmi.2017.12.038_bib35 article-title: Murnaghan's equation of state for the electronic ground state energy publication-title: Comput. Mater. Sci. doi: 10.1016/j.commatsci.2005.08.012 – volume: vol. 6 start-page: 1 year: 2016 ident: 10.1016/j.spmi.2017.12.038_bib7 – volume: 40 start-page: 7684 issue: 11 year: 1989 ident: 10.1016/j.spmi.2017.12.038_bib29 article-title: Ground-state and optical properties of Cu2O and CuO crystals publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.40.7684 – volume: 695 start-page: 3116 year: 2017 ident: 10.1016/j.spmi.2017.12.038_bib10 article-title: Reactive plasma deposition of high quality single phase CuO thin films suitable for metal oxide solar cells publication-title: J. Alloy. Comp. doi: 10.1016/j.jallcom.2016.11.338 – volume: 9 start-page: 767 issue: 4 year: 1997 ident: 10.1016/j.spmi.2017.12.038_bib31 article-title: First-Principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA + U method publication-title: J. Phys. Condens. Matter doi: 10.1088/0953-8984/9/4/002 – volume: 9 start-page: 5350 year: 2006 ident: 10.1016/j.spmi.2017.12.038_bib34 article-title: The p-type conduction mechanism in Cu 2O: a first principles study – volume: 24 issue: 17 year: 2012 ident: 10.1016/j.spmi.2017.12.038_bib36 article-title: Electronic and optical properties of Cu, CuO and Cu 2 O studied by electron spectroscopy publication-title: J. Phys. Condens. Matter doi: 10.1088/0953-8984/24/17/175002 – volume: 572 start-page: 126 year: 2014 ident: 10.1016/j.spmi.2017.12.038_bib6 article-title: Copper oxide based nanostructures for improved solar cell efficiency publication-title: Thin Solid Films doi: 10.1016/j.tsf.2014.09.056 – volume: 33 start-page: 661 year: 2016 ident: 10.1016/j.spmi.2017.12.038_bib9 article-title: Preparation and optical properties study of CuO thin film as applied solar cell on LAPAN-IPB Satellite – start-page: 5 year: 2017 ident: 10.1016/j.spmi.2017.12.038_bib14 – volume: 77 start-page: 3865 issue: 18 year: 1996 ident: 10.1016/j.spmi.2017.12.038_bib28 article-title: Generalized gradient approximation made simple publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.77.3865 – volume: 1538 start-page: 197 year: 2013 ident: 10.1016/j.spmi.2017.12.038_bib15 article-title: CuO and Cu2O nanoparticles for thin film photovoltaics publication-title: Mater. Res. Soc. Symp. Proc. doi: 10.1557/opl.2013.1025 – volume: 9 start-page: 5350 year: 2006 ident: 10.1016/j.spmi.2017.12.038_bib39 article-title: The P-type conduction mechanism in Cu 2 O: a first principles study – volume: 175 start-page: 1 year: 2006 ident: 10.1016/j.spmi.2017.12.038_bib40 article-title: Linear optical properties of solids within the full-potential linearized augmented planewave method – volume: 44 start-page: 943 issue: 3 year: 1991 ident: 10.1016/j.spmi.2017.12.038_bib32 article-title: Band theory and mott insulators: hubbard U instead of stoner I publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.44.943 – year: 2001 ident: 10.1016/j.spmi.2017.12.038_bib26 – volume: 51 start-page: 5924 issue: 12 year: 2016 ident: 10.1016/j.spmi.2017.12.038_bib17 article-title: Structural, morphological, optical properties and wettability of spin-coated copper oxide; influences of film thickness, Ni, and (La, Ni ) co-doping publication-title: J. Mater. Sci. doi: 10.1007/s10853-016-9894-7 – start-page: 3036 year: 2014 ident: 10.1016/j.spmi.2017.12.038_bib38 – year: 2014 ident: 10.1016/j.spmi.2017.12.038_bib16 |
| SSID | ssj0009417 |
| Score | 2.0562384 |
| Snippet | This study examined the influence of the Ag doping concentration on the structural, electrical and optical properties of copper oxide (CuO), using the density... |
| SourceID | crossref elsevier |
| SourceType | Enrichment Source Index Database Publisher |
| StartPage | 128 |
| SubjectTerms | Band gap CuO DFT Electrical properties mBJ Optical properties |
| Title | Electronic, electrical and optical properties of Ag doped CuO through modified Becke-Johnson exchange potential |
| URI | https://dx.doi.org/10.1016/j.spmi.2017.12.038 |
| Volume | 127 |
| hasFullText | 1 |
| inHoldings | 1 |
| isFullTextHit | |
| isPrint | |
| link | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwnV1NS8NAEF1KRfQiWhXrR9mDN41tmmziHmtoqYr1UIXewmZ3I5G2CW0KnvztziSbqiA9eNywC2H24z2GN_MIuVSxlK5QnsUlXHJXKWZxBUMALzhgtoi9IqH_NPKGr-7DhE1qJKhqYVBWad7-8k0vXmvzpW2i2c6SpD0G8AP67QAEO4hbRQW762P__JvPb5kHdwvXXZxs4WxTOFNqvJbZLEF5l1-kBLFG5S9w-gE4g32yZ5gi7ZU_c0Bqet4gO0Fl0NYg24V6Uy4PSdpfm9lc09LYBmNPxVzRNCuy1TTDrPsC26fSNKa9N6pgrGiweqbGq4fOUpXEQEnpnYa7bRnzLKo_yupgmqU5aovE9IiMB_2XYGgZJwVLOp1ObjHNHTvSUQRorQSLXC-CTWK-ozzsttPhfhxHXSZ8myvNmN_1YmQ6sFdSAGU5JvV5OtcnhNoSGYArpOMJl4tYcM-WkZJAMrXuiNsmsasAhtI0GUevi2lYqcneQwx6iEEP7W4IQW-Sq_WarGyxsXE2q_Yl_HVQQsCADetO_7nujOzCiJeys3NSzxcrfQE8JI9axUFrka3e_eNw9AWD7N3_ |
| linkProvider | Elsevier |
| linkToHtml | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwnV1LT8JAEN4QiMGLUdSIzz140wZKu609IoGAPDyACbfNdndrMEAbHok_35l2i5oYDh633Uma2dn9vm5m5iPkXkVSukJ5ViBhk7tKMStQMATwggCzReSlF_rDkdd9c1-mbFogrbwWBtMqzdmfnenpaW2e1Iw3a8lsVhsD-AH9dgCCHcQt-AUqYXcqCPZSs9fvjr5777qp8C7Ot9DA1M5kaV7rZDHDDC8_vRXEMpW_8OkH5nSOyZEhi7SZfc8JKehlhZRbuUZbhRykCZxyfUri9k7P5pFm2jbofiqWisZJemFNE7x4X2EHVRpHtPlOFYwVbW1fqZHroYtYzSJgpfRZw_a2jH4W1Z9ZgTBN4g2mF4n5GRl32pNW1zJiCpZ06vWNxXTg2KEOQwBsJVjoeiGsE_Md5WHDnXrgR1HYYMK3A6UZ8xtehGQHlksKYC3npLiMl_qCUFsiCXCFdDzhBiISgWfLUEngmVrXxVOV2LkDuTR9xlHuYs7zhLIPjk7n6HRuNzg4vUoedjZJ1mVj72yWrwv_FSscYGCP3eU_7e5IuTsZDvigN-pfkUN4E2RZaNekuFlt9Q3Qkk14a8LuCyeX4LA |
| 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=Electronic%2C+electrical+and+optical+properties+of+Ag+doped+CuO+through+modified+Becke-Johnson+exchange+potential&rft.jtitle=Superlattices+and+microstructures&rft.au=Absike%2C+H.&rft.au=Hajji%2C+M.&rft.au=Labrim%2C+H.&rft.au=Abbassi%2C+A.&rft.date=2019-03-01&rft.issn=0749-6036&rft.volume=127&rft.spage=128&rft.epage=138&rft_id=info:doi/10.1016%2Fj.spmi.2017.12.038&rft.externalDBID=n%2Fa&rft.externalDocID=10_1016_j_spmi_2017_12_038 |
| thumbnail_l | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/lc.gif&issn=0749-6036&client=summon |
| thumbnail_m | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/mc.gif&issn=0749-6036&client=summon |
| thumbnail_s | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/sc.gif&issn=0749-6036&client=summon |