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King Fahd University of Petroleum & Minerals

Electrical Engineering Department

 

Materials Computation, Theory, and Design

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    Journal Publications

    1. H Park, AAB Baloch, ET Bentria, SN Rashkeev, FH Alharbi, and FE Mellouhi, "Oxychalcogenide-Perovskite Solar Cells: A Multiscale Design," Accepted and to appear in Energy Technology, 2019.

    2.   M Hezam, SMH Qaid, IM Bedja, F Alharbi, MK Nazeeruddin, and A Aldwayyan,"Synthesis of Pure Brookite Nanorods in a Nonaqueous Growth Environment," Crystals, Vol. 9, # 562, 2019.

    3.   H Park, R Mall, FH Alharbi, S Sanvito, N Tabet, H Bensmail, and FE Mellouhi, "Learn and Match Molecular Cations for Perovskites," Journal oh Physical Chemistry A, Vol. 123, pp. 7323-7334, 2019.

    4.   H Rashid, KS Rahman, MI Hossain, AA Nasser, FH Alharbi, M Akhtaruzzaman, and N Amin, "Physical and electrical properties of molybdenum thin films grown by DC magnetron sputtering for photovoltaic application," Results in Physics, Vol. 14, 102515, 2019.

    5.   F El-Mellouhi, ME Madjet, GR Berdiyorov, ET Bentria, SN Rashkeev, S Kais, A Akande, C Motta, S Sanvito, and FH Alharbi, “Enhancing the electronic dimensionality of hybrid organic–inorganic frameworks by hydrogen bonded molecular cations,” Materials Horizon, Vol. 6, pp. 1187-1196, 2019.

    6.   F El-Mellouhi, SN Rashkeev, A Marzouk, L Kabalan, A Belaidi, B Merzougui, N Tabet, and FH Alharbi, "Intrinsic Stability Enhancement and Ionic Migration Reduction by Fluorinated Cations Incorporated in Hybrid Lead Halide Perovskites," Journal of Materials Chemistry C. Vol. 7, pp. 5299-5306, 2019.

    7.   H Park, R Mall, FH Alharbi, S Sanvito, N Tabet, H Bensmail, and F El Mellouhi "Exploring New Approaches towards the Formability of Mixed-Ion Perovskite by DFT and Machine Learning," Physical Chemistry Chemical Physics, Vol. 21, pp. 1078-1088, 2019.

    8.   F Mumtaz, H Saidaoui, and FH Alharbi, "Efficient High Order Method for Differential Equations in Unbounded Domains using Generalized Coordinate Transformation," Journal of Computational Physics, Vol. 381, pp. 275-289, 2019.

    9.   MT Ferdaous, SA Shahahmadi, P Chelvanathan, Md Akhtaruzzaman, FH Alharbi, K Sopian, SK Tiong, N Amin, "Elucidating the role of interfacial MoS2 layer in Cu2ZnSnS4 thin film solar cells by numerical analysis," Solar Energy, Vol. 178, pp. 162-172, 2019.

    10.AAB Baloch, FH Alharbi, G Grancini, MI Hossain, MK Nazeeruddin, and N Tabet, "Analysis of Photocarrier Dynamics at Interfaces in Perovskite Solar Cells by Time Resolved Photoluminescence," Journal of Physical Chemistry C, Vol. 122, pp. 26805-26815, 2018.

    11.M Farhat, S Guenneau, T Puvirajesinghe, and FH Alharbi, "Frequency domain transformation optics for diffusive photon density waves’ cloaking," Optics Express, Vol. 26, pp. 24792-24803, 2018.

    12.MA Hossain, BA Merzougui, FH Alharbi, and N Tabet, "Electrochemical deposition of bulk MoS2 thin films for photovoltaic applications," Solar Energy Materials and Solar Cells, Vol. 186, pp. 165-174, 2018.

    13.H Park, FH Alharbi, S Sanvito, N Tabet, and F El Mellouhi, “Searching for Photoactive Polymorphs of CsNbQ3 (Q=O,S,Se,Te) with Enhanced Optical Properties and Intrinsic Thermodynamic Stabilities,” Journal of Physical Chemistry C, Vol. 122, pp. 8814-8821, 2018.

    14.M Legesse, H Park, F El Mellouhi, SN Rashkeev, S Kais, and FH Alharbi, "Improved Photoactivity of Pyroxene Silicates by Cation Substitutions," ChemPhysChem, Vol. 19, pp. 943-953, 2018.

    15.MI Hossain, FH Alharbi, F El-Mellouhi, and Nouar Tabet, "Design Optimization of Solar Cell with Molybdenum Sulfide as Light Absorber," Journal of Photonics for Energy, Vol. 8, #025501, 2018.

    16.H Park, FH Alharbi, S Sanvito, N Tabet, and F El-Mellouhi, "Elucidating the Impact of Chalcogen Content on the Photovoltaic Properties of Oxychalcogenide Perovkskites NaMO3-xQx (M=Nb,Ta, and Q=S,Se,Te)," ChemPhysChem, Vol. 19, pp. 703-714, 2018.

    17.F Mumtaz and FH Alharbi, "Efficient Mapping of High Order Basis Sets for Unbounded Domains," Communications in Computational Physics, Vol. 24, pp. 69-85, 2018.

    18.R Al-Gaashani, S Radiman, B Aissa, FH Alharbi, and N Tabet, "Development of Microwave Susceptors Based on SiC Composites and their Application for a One-Step Synthesis of ZnO Nanostructures," Ceramics International, Vol. 44, pp. 7674-7682, 2018.

    19.Z Hu, GS Engel, FH Alharbi, and S Kais, "Dark states and delocalization: competing effects of quantum coherence on the efficiency of light harvesting systems," Journal of Chemical Physics, Vol. 148, #064304, 2018.

    20.A Baloch, SP Aly, MI Hossain, FE Mellouhi, N Tabet, and FH Alharbi, "Practical Efficiency Limit of Methylammonium Lead Iodide Perovskite (CH3NH3PbI3) Solar Cells,” The Journal of Physical Chemistry Letters, Vol. 9, pp. 426-434, 2018.

    21.M Farhat, S Kais, and FH Alharbi, "Effect of Time-Delayed Feedback on the Interaction of a Dimer System with its Environment," Scientific Reports, Vol. 7, # 15468, 2017.

    22.M Farhat, S Kais, and FH Alharbi, "Plasmonically Enhanced Schottky Photovoltaic Devices," Scientific Reports, Vol. 7, #14253, 2017.

    23.A Baloch, SP Aly, MI Hossain, FE Mellouhi, N Tabet, and FH Alharbi, "Full Space Device Optimization for Solar Cells," Scientific Reports, Vol. 7, #11984, 2017.

    24.ME Madjet, GR Berdiyorov, FE Mellouhi, FH Alharbi, AV Akimov, and S Kais, "Cation Effect on Hot Carrier Cooling in Halide Perovskite Materials," The Journal of Physical Chemistry Letters, Vol. 8, pp. 4439-4445, 2017.

    25.P Chelvanathan, SA Shahahmadi, F Arith, K Sobayel, M Aktharuzzaman, K Sopian, FH Alharbi, N Tabet, and N Amin, "Effects of RF magnetron sputtering deposition process parameters on the properties of molybdenum thin films," Thin Solid Films, Vol. 638, pp. 213-219, 2017.

    26.MI Hossain, A Bousselham, FH Alharbi, and N Tabet, "Computational Analysis of Temperature Effects on Solar Cells Efficiencies," Journal of Computational Electronics, Vol. 16, pp. 776-786, 2017.

    27.FE Mellouhi, A Akande, C Motta, SN Rashkeev, G Berdiyorov, ME Madjet, A Marzouk, ET Bentria, S Sanvito, S Kais, and FH Alharbi, "Solar cells materials by design: Hybrid pyroxene corner-sharing VO4 tetrahedral chains", ChemSusChem, Vol. 10, pp. 1931-1942, 2017.

    28.FH Alharbi and S Kais, “Kinetic energy density for orbital-free density functional calculations by axiomatic approach,” International Journal of Quantum Chemistry, Vol. 117, #e25373, 2017.

    29.MA Hossain, R Al-Gaashani, H Hamoudi, MJF Al Marri, IA Hussein, A Belaidi, BA Merzougui, FH Alharbi, and N Tabet, "Controlled Growth of Cu2O Thin Films by Electrodeposition Approach," Materials Science in Semiconductor Processing, Vol. 63, pp. 203-211, 2017.

    30.M Legesse, F El Mellouhi, ET Bentria, ME Madjet, TS Fisher, S Kais, and FH Alharbi, "Reduced work function of graphene by metal adatoms," Applied Surface Science, Vol. 394, pp. 98-107, 2017.

    31.Y Zhang, A Wirthwein, FH Alharbi, GS Engel, and S Kais, "Dark States Enhance the Photocell Power via Phononic Dissipations," Physical Chemistry Chemical Physics, Vol. 18, pp. 31845-31849, 2016.

    32.F El-Mellouhi, ET Bentria, A Marzouk, SN Rashkeev, S Kais, and FH Alharbi, "Hydrogen Bonding: A Mechanism for Tuning Electronic and Optical Properties of Hybrid Organic – Inorganic Frameworks," NPJ Computational Materials, Vol. 2, #16035, 2016.

    33.F El-Mellouhi, A Marzouk, ET Bentria, SN Rashkeev, S Kais, and FH Alharbi, "Hydrogen Bonding and Stability of Hybrid Organic-Inorganic Perovskites," ChemSusChem, Vol. 9, pp. 2648-2655, 2016.

    34.F El-Mellouhi, ET Bentria, SN Rashkeev, S Kais, and FH Alharbi, "Enhancing Intrinsic Stability of Hybrid Perovskite Solar Cell by Strong, yet Balanced, Electronic Coupling,” Scientific Reports, Vol. 6, #30305, 2016.

    35.HP Lüthi, S Heinen, G Schneider, A Glöss, MP Brändle, RA King, EP Knapp, F Alharbi, S Kais, "The quantum chemical search for novel materials and the issue of data processing: The InfoMol project," Journal of Computational Science, Vol. 15, pp. 65-73, 2016.

    36.A Sergeev, R Jovanovic, S Kais, and FH Alharbi, "On the divergence of gradient expansions for kinetic energy functionals in the potential functional theory," Journal of Physics A, Vol. 49, 285202, 2016.

    37.R Jovanovic, S Kais, and FH Alharbi, "Cuckoo Search Inspired Hybridization of the Nelder-Mead Simplex Algorithm Applied to Optimization of Multi-Junction and Split-Spectrum Solar Cells," Applied Mathematics & Information Sciences, Vol. 10, pp. 961-973, 2016.

    38.G Berdiyorov, F El-Mellouhi, M El-Amine Madjet, FH Alharbi, FM Peeters, S Kais, "Effect of halide-mixing on the electronic transmission in organometallic perovskites," Solar Energy Materials and Solar Cells, Vol. 148, pp. 2-10, 2016.

    39.G.R. Berdiyorov, F. El-Mellouhi, M.E. Madjet, F.H. Alharbi, and S.N. Rashkeev, “Electronic transport in organometallic perovskite CH3NH3PbI3: the role of organic cation orientations,” Applied Physics Letters, Vol. 108, #053901, 2016.

    40.SMH Qaid, MS Al Sobaie, MA Majeed Khan, IM Bedja, FH Alharbi, MK Nazeeruddin, AS Aldwayyan, “Band-gap tuning of lead halide perovskite using a single step spin-coating deposition process," Materials Letters, Vol. 164, pp. 498-501, 2016.

    41.FH Alharbi, S Rashkeev, F El-Mellouhi, HP Luthi, N tabet, and S Kais, “An Efficient Descriptor Model for Designing Materials for Solar Cells,” NPJ Computational Materials, Vol. 1, #15003, 2015.

    42.FH Alharbi and S Kais “Theoretical Limits of Photovoltaics Efficiency and Possible Improvements by Intuitive Approaches Learned from Photosynthesis and Quantum Coherence,” Renewable & Sustainable Energy Reviews, Vol. 43, pp. 1073-1089, 2015.

    43.A Sergeev, R Jovanovic, S Kais, and FH Alharbi, "Correction to kinetic energy density using exactly solvable model," Physica Scripta, Vol. 90, # 125401, 2015.

    44.MI Hossain, FH Alharbi, and N Tabet, "Copper Oxide as Inorganic Hole Transport Material for Lead Halide Perovskite Based Solar Cells of Enhanced Performance," Solar Energy, Vol. 120, pp. 370-380, 2015.

    45.S Rashkeev, F El Mellouhi, S Kais, and FH Alharbi, “Domain Walls Conductivity in Hybrid Organometallic Perovskites and Their Essential Role in CH3NH3PbI3 Solar Cell High Performance,” Scientific Reports, Vol. 5, # 11467, 2015.

    46.Carlo Motta, Fedwa El Mellouhi, Sabre Kais, Nouar Tabet, FH Alharbi, and Stefano Sanvito, "Revealing the role of organic cations in hybrid halide perovskites CH3NH3PbI3,” Nature Communications, Vol. 6, #7026, 2015.

    47.Y Zhang, S Oh, FH Alharbi, G Engel, and S kais, "Delocalized Quantum States Enhance Photocell Efficiency," Physical Chemistry Chemical Physics, Vol. 17, pp. 5743-5750, 2015.

    48.QA Drmosh, MK Hossain, FH Alharbi, and N Tabet, "Morphological, Structural and Optical Properties of Silver Treated Zinc Oxide Thin Film,” Journal of Materials Science: Materials in Electronics, Vol. 26, pp. 139-148, 2015.

    49.R Jovanovic, S Kais, and FH Alharbi, "Spectral Method for Solving the Non-Linear Thomas-Fermi Equation Based on Exponential Functions,” Journal of Applied Mathematics, Vol. 2014, 168568, 2014.

    50.H Rashid, KS Rahman, MI Hossain, FH Alharbi, N Tabet, N Amin, "Prospects of molybdenum disulfide (MoS2) as an alternative absorber layer material in thin film solar cells from numerical modeling," Chalcogenide Letters, Vol. 11, 397-403, 2014.

    51.VU Nazarov, FH Alharbi, TS Fisher, and S Kais, "Time-dependent density functional theory of coupled electronic lattice motion in quasi-two-dimensional crystals," Physical Review B, Vol. 89, 195423, 2014.

    52.QA Drmosh, MK Hossain, FH Alharbi, and N Tabet, "Silver Nanoparticles on Zinc Oxide: An Approach to Plasmonic PV solar cell," Advanced Materials Research, Vol. 938, pp. 280-285, 2014.

    53.MI Hossain, A Bousselham, and FH Alharbi, "Optical concentration effects on conversion efficiency of a split-spectrum solar cell system," Journal of Physics D, Vol. 47, 075101, 2014.

    54.R Jovanovic, S Kais, and FH Alharbi, "Efficient method for localized functions using domain transformation and Fourier sine series," Molecular Physics, Vol. 112, pp. 762-769, 2014.

    55.P Serra, MA Carignano, FH Alharbi, and Sabre Kais, “Quantum Confinement and Negative Heat Capacity,” Europhysics Letters, Vol. 104, 16004, 2013.

    56.S Alfihed, M Hossain, A Alharbi, A Alyamani, and FH Alharbi "PLD Grown Polycrystalline Tungsten Disulphide (WS2) Films for Photovoltaics,” Journal of Materials, Vol. 2013, Art. 603648, 2013.

    57.MI Hossain and FH Alharbi "Recent Advances in Alternative Materials Photovoltaics," Materials Technology, Vol. 28, No. 1&2, pp. 88-97, 2013. (Published also by the publisher in Energy Materials: Materials Science and Engineering for Energy Systems, Vol. 8, No. 1, pp. 88-97).

    58.FH Alharbi and S Kais “Quantum criticality analysis by finite size scaling and exponential basis sets,” Physical Review E, Vol. 87, No. 4, Art. 043308, 2013.

    59.M Kawwam, FH Alharbi, T Kayed, A Aldwayyan, A Alyamani, N Tabet, and K Lebbou "Characterization of CuO(111)/MgO(100) films grown under two different PLD backgrounds," Applied Surface Science, Vol. 276, pp. 7-12, 2013.

    60.FH Alharbi “Full-vectorial meshfree spectral method for optical waveguides analysis,” IEEE Photonics Journal, Vol. 5, No. 1, Art. 6600315, 2013.

    61.FH Alharbi “Carrier multiplication applicability for photovoltaics; a critical analysis,” Journal of Physics D, Vol. 46, Art. 125102, 2013.

    62.M Kawwam, F Alharbi, A Aldwayyan, K Lebbou, "Morphological Study of PLD Grown CuO Films on SrTiO3, Sapphire, Quartz, and MgO Substrates," Applied Surface Science, Vol. 258, No. 24, pp. 9949-9953, 2012.

    63.FH Alharbi “Minimal perturbation approach implementation in spectral methods,” Applied Mathematics Letters, Vol. 25, No. 10, pp. 1309-1314, 2012.

    64.JD Bass, X Ai, A Bagabas, PM Rice, T Topuria, JC Scott, F Alharbi, H-C Kim, RD Miller, and Q Song “An Efficient and Low-cost Method for the Purification of Colloidal Nanocrystals,” Angewandte Chemie, Vol. 50, No. 29, pp. 6538-6542, 2011.

    65.JD Bass, CD Schaper, CT Rettner, N Arellano, F Alharbi, RD Miller, and H-C Kim "Transfer Molding of Nanoscale Oxides using Water-Soluble Templates," ACS Nano, Vol. 5, pp. 4065-4072, 2011.

    66.F Alharbi, JD Bass, A Salhi, and A Alyamani, H-C Kim, and RD Miller "Abundant non-toxic materials for thin film solar cells: Alternative to conventional materials,” Renewable Energy, Vol. 36, pp. 2753-2758, 2011.

    67.F Alharbi “Predefined Exponential Basis Set for Half-Bounded Multi Domain Spectral Method,” Applied Mathematics, Vol. 1, pp. 146-152, 2010.

    68.Q Song Q, X Ai, T Topuria, PM Rice, F Alharbi, A Bagabas, M Bahattab, JD Bass, H-C Kim, JC Scott, RD Miller, "Microwave-assisted synthesis of monodispersed CdTe nanocrystals," Chemical Communications, Vol. 46, pp. 4971-4973, 2010.

    69.F Alharbi “Meshfree Eigenstate Calculation of Arbitrary Quantum Well Structures,” Physics Letters A, Vol. 374, No. 25, pp. 2501-2505, 2010.

    70.F Alharbi “Comparative Analysis of Spectral Methods in Half-Bounded Domains; Implementation of Predefined Exponential and Laguerre Basis Sets to Study Planar Dielectric and Plasmonic Waveguides,” Optical & Quantum Electronics, Vol. 41, No. 10, pp. 751-760, 2009.

    71.F Alharbi and JC Scott, “Multi-domain spectral method for modal analysis of optical waveguide,” Optical & Quantum Electronics, Vol. 41, No. 8, pp. 583-597, 2009.

    72.F Alharbi “An Explicit FDM Method Calculation of Nonparabolicity Effects in Energy States of Multiple Quantum Wells,” Optical & Quantum Electronics, Vol. 40, No. 8, pp. 551-559, 2008.

    73.F Alharbi and FS Barnes "Carriers' Spatial Separation Nonlinearity in Quantum Wells," Journal of Modern Optics, Vol. 52, No. 16, pp. 2279-2292, 10 Nov. 2005.

    Other Publications

    1.   F El-Mellouhi, F Alharbi, C Motta, S Rashkeev, S Sanvito, and S Kais, "Toward the Computational design of Pb-free and stable hybrid materials for solar cells," in Theoretical Modeling of Mixed Organic-Inorganic Perovskites for Photovoltaic Applications Ed. G Giorgi and K Yamashita, CRC Press, pp. 135-164, 2017.

    2.   AAB Baloch, SP Aly, MI Hossain, R Jovanovic, N Tabet, and FH Alharbi, "Enhanced Perovskite Solar Cell Performance Using Full Space Device Optimization," in IEEE PVSC, Washington DC, USA, 25-30 June 2017, pp. 963-965, 2017.

    3.   FH Alharbi, P Serra, MA Carignano, and S Kais, " Optoelectronics Properties Tunability by Controlled Deformation," Journal of Physics: Conference Series, Vol. 707, #012010, 2016.

    4.   F El-Mellouhi, F Alharbi, C Motta, S Rashkeev, S Sanvito, and S Kais, "Toward the Computational design of Pb-free and stable hybrid materials for solar cells," in Theoretical Modeling of Mixed Organic-Inorganic Perovskites for Photovoltaic Applications Ed. G Giorgi and K Yamashita, CRC Press, pp. 135-164, 2017.

    5.   A Sergeev, FH Alharbi, R Jovanovic, and S Kais, "Convergent sum of gradient expansion of the kinetic-energy density functional up to the sixth order term using Pade approximant," Journal of Physics: Conference Series, Vol. 707, #012011, 2016.

    6.   MI Hossain, FH Alharbi, and N Tabet, "Numerical Analysis of Hybrid Perovskite Solar Cells Using Inorganic Hole Conducting Material," in the Proceedings of the 42nd IEEE Photovoltaic Specialists Conference, New Orleans, June 14-19, 2015.

    7.   FH Alharbi, MI Hossain, and N Tabet,"Perovskite based solar cells: a milestone towards cheaper PV technology," The proceedings of the 3rd International Symposium on Environment-Friendly Energies and Applications (EFEA 2014), Paris, France, 19-21 November 2014.

    8.   MI Hossain, A Bousselham, and FH Alharbi, "Numerical analysis of the temperature effects on single junction solar cells efficiencies," in Proceedings of the 39th IEEE Photovoltaic Specialists Conference, Tampa, FL, USA, June 16-21, pp. 779-781, 2013.

    9.   MI Hossain, A Bousselham, and FH Alharbi, "Numerical analysis of the optical concentration effects on split-spectrum solar cell system," in Proceedings of the 39th IEEE Photovoltaic Specialists Conference, Tampa, FL, USA, June 16-21, pp. 1017-1020, 2013.

    10.FH Alharbi, QA Drmosh, and N Tabet, "Metallic Quantum Dots as Sensitizers for Solar Cells," in Proceedings of the 39th IEEE Photovoltaic Specialists Conference, Tampa, FL, USA, June 16-21, pp. 993-996, 2013.

    11.S Alfihed, M Hossain, A Alharbi, A Alyamani, and FH Alharbi "Low temperature PLD growth of a polycrystalline WS2 for photovoltaics," in the Proceedings of the 22nd Photovoltaics Science and Engineering Conference, China, 5-9 Nov., pp. 3-O-39, 2012.

    12.F Alharbi and JC Scott, "Mesh-free Spectral Method Analysis of Optical Waveguides and Wave Propagation," in IEEE Proceedings of the 9th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD09, Gwangju, Korea, Sept. 14 - 18, 2009, pp.107-108.

    13.F Alharbi “Predefined exponential basis set for half-bounded multi domain spectral method,” in IEEE Proceedings of the 9th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD09, Gwangju, Korea, Sept. 14 - 18, 2009, pp.77-78.

     

     

     

     

     

     
     

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