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  • 1.
    Abbas, Ghulam
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science. Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements.
    Johansson, Gustav
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Alay-e-Abbas, Syed Muhammad
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science. Computational Materials Modeling Laboratory, Department of Physics, Government College University, Faisalabad 38040, Pakistan.
    Shi, Yijun
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Machine Elements.
    Larsson, J. Andreas
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Quasi Three-Dimensional Tetragonal SiC Polymorphs as Efficient Anodes for Sodium-Ion Batteries2023In: ACS Applied Energy Materials, E-ISSN 2574-0962, Vol. 6, no 17, p. 8976-8988Article in journal (Refereed)
    Abstract [en]

    In the present work, we investigate, for the first time, quasi 3D porous tetragonal silicon–carbon polymorphs t(SiC)12 and t(SiC)20 on the basis of first-principles density functional theory calculations. The structural design of these q3-t(SiC)12 and q3-t(SiC)20 polymorphs follows an intuitive rational approach based on armchair nanotubes of a tetragonal SiC monolayer where C–C and Si–Si bonds are arranged in a paired configuration for retaining a 1:1 ratio of the two elements. Our calculations uncover that q3-t(SiC)12 and q3-t(SiC)20 polymorphs are thermally, dynamically, and mechanically stable with this lattice framework. The results demonstrate that the smaller polymorph q3-t(SiC)12 shows a small band gap (∼0.59 eV), while the larger polymorph of q3-t(SiC)20 displays a Dirac nodal line semimetal. Moreover, the 1D channels are favorable for accommodating Na ions with excellent (>300 mAh g–1) reversible theoretical capacities. Thus confirming potential suitability of the two porous polymorphs with an appropriate average voltage and vanishingly small volume change (<6%) as anodes for Na-ion batteries.

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  • 2.
    Hossain, M. Noor
    et al.
    Department of Chemistry and Materials Science, Aalto University School of Chemical Engineering, P.O. Box 16100, EspooFI-00076 AALTO, Finland.
    Khakpour, Reza
    Department of Chemistry and Materials Science, Aalto University School of Chemical Engineering, P.O. Box 16100, EspooFI-00076 AALTO, Finland.
    Busch, Michael
    Department of Chemistry and Materials Science, Aalto University School of Chemical Engineering, P.O. Box 16100, EspooFI-00076 AALTO, Finland.
    Suominen, Milla
    Department of Chemistry and Materials Science, Aalto University School of Chemical Engineering, P.O. Box 16100, EspooFI-00076 AALTO, Finland.
    Laasonen, Kari
    Department of Chemistry and Materials Science, Aalto University School of Chemical Engineering, P.O. Box 16100, EspooFI-00076 AALTO, Finland.
    Kallio, Tanja
    Department of Chemistry and Materials Science, Aalto University School of Chemical Engineering, P.O. Box 16100, EspooFI-00076 AALTO, Finland.
    Temperature-Controlled Syngas Production via Electrochemical CO2 Reduction on a CoTPP/MWCNT Composite in a Flow Cell2022In: ACS Applied Energy Materials, E-ISSN 2574-0962, Vol. 6, no 1, p. 267-277Article in journal (Refereed)
  • 3.
    Jain, Preeti
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Antzutkin, Oleg N.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering. Department of Physics, Warwick University, CV4 7AL Covertly, United Kingdom.
    Nonhalogenated Surface-Active Ionic Liquid as an Electrolyte for Supercapacitors2021In: ACS Applied Energy Materials, E-ISSN 2574-0962, Vol. 4, no 8, p. 7775-7785Article in journal (Refereed)
    Abstract [en]

    We report a nonhalogenated surface-active ionic liquid (SAIL) that consists of the surface-active anion 2-ethylhexyl sulfate and the tetraoctylammonium cation ([N8,8,8,8][EHS]). We explored the thermal and electrochemical properties, i.e., degradation, melting and crystallization temperatures, ionic conductivity, and electrochemical potential window of neat SAIL and its binary mixture with acetonitrile. This SAIL was tested as an electrolyte in a multiwalled carbon nanotube (MWCNT)-based supercapacitor at various temperatures from 298 to 373 K. In addition, we also tested the binary mixture of SAIL with acetonitrile as an electrolyte at lower temperatures (253–298 K). The electrochemical performance of SAIL and the SAIL/acetonitrile binary mixture as a function of temperature was compared with that of a standard electrolyte, an aqueous solution of 6 M KOH, in the same MWCNT-based supercapacitor. The solution resistance (Rs), charge transfer resistance (Rct), and equivalent series resistance (ESR) decreased with an increase in temperature for all SAIL-based electrolytes. We found that the supercapacitor cell with SAIL as an electrolyte has a high specific capacitance (Celec in F g–1), a high energy density (E in Wh kg–1), and a high power density (in W kg–1) compared to those for the binary mixture of SAIL with acetonitrile and for the 6 M KOH aqueous electrolytes, particularly at elevated temperatures. For the SAIL/MWCNT-based supercapacitor, Celec increased from 75 F g–1 at 298 K to 169 F g–1 at 373 K, whereas the energy density increased from 42 Wh kg–1 (at 298 K) to 94 Wh kg–1 (at 373 K) and the power density increased from 75 kW kg–1 (at 298 K) to 169 kW kg–1 (at 373 K) at a scan rate of 2 mV s–1 (potential window = 4 V). This study reveals that SAIL can potentially be used as an electrolyte for high-temperature electrochemical applications for energy storage devices. 

  • 4.
    Kumar, Pankaj
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Eriksson, Martin
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Kharytonau, Dzmitry S.
    Electrochemistry and Corrosion Laboratory, Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences, 30-239 Krakow, Poland.
    You, Shujie
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Natile, Marta Maria
    National Research Council (CNR), Institute of Condensed Matter Chemistry and Technologies for Energy (ICMATE), via F. Marzolo 1, 35131 Padova, Italy; Department of Chemical Sciences, University of Padova, via F. Marzolo 1, 35131 Padova, Italy.
    Vomiero, Alberto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science. Department of Molecular Sciences and Nanosystems, Ca’ Foscari University of Venice, via Torino 155, 30172 Venezia Mestre, Italy.
    All-Inorganic Hydrothermally Processed Semitransparent Sb2S3 Solar Cells with CuSCN as the Hole Transport Layer2024In: ACS Applied Energy Materials, E-ISSN 2574-0962, Vol. 7, no 4, p. 1421-1432Article in journal (Refereed)
    Abstract [en]

    Published by American Chemical Society.An inorganic wide-bandgap hole transport layer (HTL), copper(I) thiocyanate (CuSCN), is employed in inorganic planar hydrothermally deposited Sb2S3 solar cells. With excellent hole transport properties and uniform compact morphology, the solution-processed CuSCN layer suppresses the leakage current and improves charge selectivity in an n-i-p-type solar cell structure. The device without the HTL (FTO/CdS/Sb2S3/Au) delivers a modest power conversion efficiency (PCE) of 1.54%, which increases to 2.46% with the introduction of CuSCN (FTO/CdS/Sb2S3/CuSCN/Au). This PCE is a significant improvement compared with the previous reports of planar Sb2S3 solar cells employing CuSCN. CuSCN is therefore a promising alternative to expensive and inherently unstable organic HTLs. In addition, CuSCN makes an excellent optically transparent (with average transmittance >90% in the visible region) and shunt-blocking HTL layer in pinhole-prone ultrathin(<100 nm) semitransparent absorber layers grown by green and facile hydrothermal deposition. A semitransparent device is fabricated using an ultrathin Au layer (∼10 nm) with a PCE of 2.13% and an average visible transmittance of 13.7%.

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  • 5.
    Sajjad, Muhammad
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Mahmood, Qasim
    Department of Physics, College of Science, Imam Abdulrahman Bin Faisal University, P.O. Box 1982, 31441 Dammam, Saudi Arabia. Basic and Applied Scientific Research Center, Imam Abdulrahman Bin Faisal University, P.O. Box 1982, 31441 Dammam, Saudi Arabia.
    Singh, Nirpendra
    Department of Physics, Khalifa University of Science and Technology, P.O. Box 127788, Abu Dhabi, United Arab Emirates (UAE). Center for Catalysis and Separation (CeCaS), Khalifa University of Science and Technology, P.O. Box 127788, Abu Dhabi, United Arab Emirates (UAE).
    Larsson, J. Andreas
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Ultralow Lattice Thermal Conductivity in Double Perovskite Cs2PtI6: A Promising Thermoelectric Material2020In: ACS Applied Energy Materials, E-ISSN 2574-0962, Vol. 3, no 11, p. 11293-11299Article in journal (Refereed)
    Abstract [en]

    We report first-principle calculations of the recently synthesized Pb-free double perovskite Cs2PtI6, which we found to have the potential to be an excellent thermoelectric material, through the investigation of its electronic and phonon transport properties. The Heyd–Scuseria–Ernzerhof functional results in an indirect band gap of 1.40 eV, perfectly matching the experiment. Our well-converged phonon dispersion displays positive frequencies in the entire Brillouin zone and hence confirms the dynamic stability of the material. Further, the low-lying optical modes mix significantly with the heat-carrying acoustic phonons and add to their scattering phase space. We have found strong phonon anharmonicity due to the nonsymmetric and nonspherical electron densities of the atoms derived from their bonding environment, which in combination with low group velocities and high phonon scattering rates results in ultralow lattice thermal conductivity in Cs2PtI6. For example, it is 0.15 W/mK at 300 K, which is 8-fold smaller than that reported for the typical thermoelectric material Bi2Te3. Our simulations show that it could be reduced by another factor of 2 by nanostructuring the material with features of around 8 nm. We have found a remarkably high p-type Seebeck coefficient of 139 μV/K at the maximum considered carrier concentration and temperature. Our calculations also find a high figure of merit of 1.03 for the p-type carriers at room temperature, attributed to the substantial thermoelectric coefficient S2σ/τ, where S, σ, and τ are the Seebeck coefficient, the electrical conductivity, and the relaxation time, respectively.

  • 6.
    Solomon, Getachew
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Lecca, Marco
    Institute of Condensed Matter Chemistry and Technologies for Energy (ICMATE) National Research Council (CNR) and Department of Chemical Sciences, University of Padova, Via F. Marzolo 1, Padova 35131, Italy.
    Bisetto, Matteo
    Institute of Condensed Matter Chemistry and Technologies for Energy (ICMATE) National Research Council (CNR) and Department of Chemical Sciences, University of Padova, Via F. Marzolo 1, Padova 35131, Italy.
    Gilzad Kohan, Mojtaba
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Concina, Isabella
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Natile, Marta Maria
    Institute of Condensed Matter Chemistry and Technologies for Energy (ICMATE) National Research Council (CNR) and Department of Chemical Sciences, University of Padova, Via F. Marzolo 1, Padova 35131, Italy.
    Vomiero, Alberto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science. Department of Molecular Sciences and Nanosystems, Ca' Foscari University of Venice, Via Torino 155, Venezia Mestre 30172, Italy.
    Engineering Cu2O Nanowire Surfaces for Photoelectrochemical Hydrogen Evolution Reaction2023In: ACS Applied Energy Materials, E-ISSN 2574-0962, Vol. 6, no 2, p. 832-840Article in journal (Refereed)
    Abstract [en]

    Cu2O is a narrow band gap material serving as an important candidate for photoelectrochemical hydrogen evolution reaction. However, the main challenge that hinders its practical exploitation is its poor photostability, due to its oxidation into CuO by photoexcited holes. Here, we thoroughly minimize the photo-oxidation of Cu2O nanowires by growing a thin layer of the TiO2 protective layer and an amorphous layer of the VOx cocatalyst using magnetron sputtering and atomic layer deposition, respectively. After optimization of the protective and the cocatalyst layers, the photoelectrode exhibits a current density of −2.46 mA/cm2 under simulated sunlight (100 mW/cm2) at 0.3 V versus reversible hydrogen electrode, and its performance is stable for an extended illumination time. The chemical stability and the good performance of the engineered photoelectrode demonstrate the potential of using earth-abundant materials as a light-harvesting device for solar hydrogen production.

  • 7.
    Tahira, Aneela
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Ibupoto, Zafar
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science. Dr. M.A Kazi Institute of Chemistry University of Sindh Jamshoro, Sindh, Pakistan.
    Mazzaro, Raffaello
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science. Istituto per la Microelettronica ed i Microsistemi, Consiglio Nazionale delle Ricerche (IMM-CNR), Bologna, Italy.
    You, Shujie
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Morandi, Vittorio
    Istituto per la Microelettronica ed i Microsistemi, Consiglio Nazionale delle Ricerche (IMM-CNR), Bologna, Italy.
    Natile, Marta Maria
    Università di Padova, Padova, Italy.
    Vagin, Mikhail
    Linköping University, Norrköping, Sweden.
    Vomiero, Alberto
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science. Ca’ Foscari University Venice, Venice, Italy.
    Advanced Electrocatalysts for Hydrogen Evolution Reaction Based on Core–Shell MoS2/TiO2 Nanostructures in Acidic and Alkaline Media2019In: ACS Applied Energy Materials, E-ISSN 2574-0962, Vol. 2, no 3, p. 2053-2062Article in journal (Refereed)
    Abstract [en]

    Hydrogen production as alternative energy source is still a challenge due to the lack of efficient and inexpensive catalysts, alternative to platinum. Thus, stable, earth abundant, and inexpensive catalysts are of prime need for hydrogen production via hydrogen evolution reaction (HER). Herein, we present an efficient and stable electrocatalyst composed of earth abundant TiO2 nanorods decorated with molybdenum disulfide thin nanosheets, a few nanometers thick. We grew rutile TiO2 nanorods via the hydrothermal method on conducting glass substrate, and then we nucleated the molybdenum disulfide nanosheets as the top layer. This composite possesses excellent hydrogen evolution activity in both acidic and alkaline media at considerably low overpotentials (350 mV and 700 mV in acidic and alkaline media, respectively) and small Tafel slopes (48 and 60 mV/dec in acidic and alkaline conditions, respectively), which are better than several transition metal dichalcogenides, such as pure molybdenum disulfide and cobalt diselenide. A good stability in acidic and alkaline media is reported here for the new MoS2/TiO2 electrocatalyst. These results demonstrate the potential of composite electrocatalysts for HER based on earth abundant, cost-effective, and environmentally friendly materials, which can also be of interest for a broader range of scalable applications in renewable energies, such as lithium sulfur batteries, solar cells, and fuel cells.

  • 8.
    Wei, Jiayuan
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Geng, Shiyu
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Pitkänen, Olli
    Microelectronics Research Group, University of Oulu, FI-90570 Oulu, Finland.
    Jarvinen, Topias
    Microelectronics Research Group, University of Oulu, FI-90570 Oulu, Finland.
    Kordas, Krisztian
    Microelectronics Research Group, University of Oulu, FI-90570 Oulu, Finland.
    Oksman, Kristiina
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science. Fibre and Particle Engineering Research Group, University of Oulu, FI-90570 Oulu, Finland. Mechanical & Industrial Engineering (MIE), University of Toronto, Toronto, ON, M5S 3G8, Canada.
    Green carbon nanofiber networks for advanced energy storage2020In: ACS Applied Energy Materials, E-ISSN 2574-0962, Vol. 3, no 4, p. 3530-3540Article in journal (Refereed)
    Abstract [en]

    Energy storage devices such as supercapacitors of high-performance are in great need due to the continuous expansion of digitalization and related devices for mobile electronics, autonomous sensors and vehicles of different kinds. However, the non-renewable resources and often complex preparation processes associated with electrode materials and structure pose limited scale-up in production and difficulties in versatile utilization of the devices. Here, free-standing and flexible carbon nanofiber networks derived from renewable and abundant bio-resources are demonstrated. By a simple optimization of carbonization, the carbon nanofiber networks reach a large surface area of 1670 m2 g-1 and excellent specific gravimetric capacitance of ~240 F g-1, outperforming many other nanostructured carbon, activated carbon and even those decorated with metal oxides. The remarkable electrochemical performance and flexibility of the green carbon networks enable an all-solid-state supercapacitor device, which displays a device capacitance of 60.4 F g-1 with a corresponding gravimetric energy density of 8.4 Wh kg-1 while maintaining good mechanical properties.

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