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Physics Today     Hybrid Journal   (Followers: 78, SJR: 0.66, CiteScore: 1)
J. of Applied Physics     Hybrid Journal   (Followers: 69, SJR: 0.739, CiteScore: 2)
American J. of Physics     Full-text available via subscription   (Followers: 58, SJR: 0.456, CiteScore: 1)
Physics of Fluids     Hybrid Journal   (Followers: 46, SJR: 1.19, CiteScore: 3)
Applied Physics Letters     Hybrid Journal   (Followers: 44, SJR: 1.382, CiteScore: 3)
J. of Chemical Physics     Hybrid Journal   (Followers: 36, SJR: 1.252, CiteScore: 2)
J. of Mathematical Physics     Hybrid Journal   (Followers: 25, SJR: 0.644, CiteScore: 1)
Review of Scientific Instruments     Hybrid Journal   (Followers: 20, SJR: 0.585, CiteScore: 1)
J. of Laser Applications     Full-text available via subscription   (Followers: 14, SJR: 0.741, CiteScore: 2)
APL Materials     Open Access   (Followers: 12, SJR: 1.63, CiteScore: 4)
J. of Renewable and Sustainable Energy     Hybrid Journal   (Followers: 11, SJR: 0.44, CiteScore: 1)
Applied Physics Reviews     Hybrid Journal   (Followers: 11, SJR: 4.156, CiteScore: 12)
Physics of Plasmas     Hybrid Journal   (Followers: 10, SJR: 0.576, CiteScore: 1)
Acoustics Today     Hybrid Journal   (Followers: 9)
Biomicrofluidics     Open Access   (Followers: 7, SJR: 0.592, CiteScore: 2)
AIP Advances     Open Access   (Followers: 7, SJR: 0.472, CiteScore: 1)
Low Temperature Physics     Hybrid Journal   (Followers: 6, SJR: 0.264, CiteScore: 1)
Structural Dynamics     Open Access   (Followers: 6, SJR: 1.625, CiteScore: 4)
J. of Physical and Chemical Reference Data     Hybrid Journal   (Followers: 4, SJR: 1.046, CiteScore: 3)
Chaos : An Interdisciplinary J. of Nonlinear Science     Hybrid Journal   (Followers: 3, SJR: 0.716, CiteScore: 2)
AIP Conference Proceedings     Full-text available via subscription   (Followers: 2)
Biointerphases     Open Access   (Followers: 1, SJR: 0.558, CiteScore: 2)
Chinese J. of Chemical Physics     Hybrid Journal   (Followers: 1, SJR: 0.24, CiteScore: 1)
Surface Science Spectra     Hybrid Journal   (Followers: 1, SJR: 0.416, CiteScore: 1)
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APL Bioengineering     Open Access  
APL Photonics     Open Access  
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APL Materials
Journal Prestige (SJR): 1.63
Citation Impact (citeScore): 4
Number of Followers: 12  

  This is an Open Access Journal Open Access journal
ISSN (Online) 2166-532X
Published by AIP Homepage  [27 journals]
  • Trends in bandgap of epitaxial A2B2O7 (A = Sn, Pb; B = Nb, Ta) films
           fabricated by pulsed laser deposition

    • Authors: T. C. Fujita, H. Ito, M. Kawasaki
      Abstract: APL Materials, Volume 10, Issue 5, May 2022.
      Pyrochlore oxides A2B2O7 have been a fruitful playground for condensed matter physics because of the unique geometry in the crystal structure. Especially focusing on the A-site tetrahedral sub-lattice, in particular, pyrochlore oxides A2B2O7 (A = Sn, Pb and B = Nb, Ta), recent theoretical studies predict the emergence of the “quasi-flat band” structure as a result of the strong hybridization between filled A-ns and O-2p orbitals. In this work, we have established the growth conditions of Sn2Nb2O7, Sn2Ta2O7, Pb2Nb2O7, and Pb2Ta2O7 films by pulsed laser deposition on Y-stabilized ZrO2 (111) substrates to elucidate their optical properties. Absorption-edge energies, both for direct and indirect bandgaps, increase in the order of Sn2Nb2O7, Sn2Ta2O7, Pb2Nb2O7, and Pb2Ta2O7. This tendency can be well explained by considering the energy level of the constituent elements. A comparison of the difference between direct and indirect bandgaps reveals that Pb2B2O7 tends to have a less dispersive valence band than Sn2B2O7. Our findings are consistent with the theoretical predictions and are suggestive of the common existence of the hybridized states in this class of compounds.
      Citation: APL Materials
      PubDate: 2022-05-20T10:06:31Z
      DOI: 10.1063/5.0089731
       
  • Phononic crystals at various frequencies

    • Authors: Masahiro Nomura, Vincent Laude, Martin Maldovan
      Abstract: APL Materials, Volume 10, Issue 5, May 2022.

      Citation: APL Materials
      PubDate: 2022-05-18T02:03:16Z
      DOI: 10.1063/5.0096930
       
  • Improvement of forming-free threshold switching reliability of CeO2-based
           selector device by controlling volatile filament formation behaviors

    • Authors: Dwipak Prasad Sahu, Kitae Park, Jimin Han, Tae-Sik Yoon
      Abstract: APL Materials, Volume 10, Issue 5, May 2022.
      Diffusive memristor-based threshold switching devices are promising candidates for selectors in the crossbar memory architecture. However, the reliability and uniformity of the devices are primary concerns due to uncontrolled diffusion of metal ions in the solid electrolyte of diffusive memristors. In this study, CeO2-based selectors with Ag electrodes were demonstrated to have forming-free threshold switching characteristics. In particular, by inserting an amorphous SiO2 layer in a CeO2-based selector device, we have effectively controlled volatile filament formation that is essential for uniform and reliable switching operations. The inserted SiO2 layer acts as a barrier that could retard the migration of Ag ions and prevents the formation of strong filaments in the solid electrolyte. This enables the bilayer device to have improved uniformity and cyclic endurance. The proposed selector device, Ag/CeO2/SiO2/Pt, showed excellent DC I–V switching cycles (103), high selectivity of 104, good endurance (>104), and narrow distribution of switching voltages. These results would be helpful to implement CeO2-based threshold switching devices as selectors for high-density storage crossbar memory architectures.
      Citation: APL Materials
      PubDate: 2022-05-18T02:03:14Z
      DOI: 10.1063/5.0090425
       
  • Wake-up-free properties and high fatigue resistance of HfxZr1−xO2-based
           metal–ferroelectric–semiconductor using top ZrO2 nucleation layer at
           low thermal budget (300 °C)

    • Authors: Takashi Onaya, Toshihide Nabatame, Mari Inoue, Tomomi Sawada, Hiroyuki Ota, Yukinori Morita
      Abstract: APL Materials, Volume 10, Issue 5, May 2022.
      Ferroelectricity and crystallinity of TiN/ZrO2/HfxZr1−xO2 (Hf:Zr = 0.43:0.57; HZO)/SiO2/Si metal–ferroelectric–semiconductor (MFS) capacitors with a top ZrO2 nucleation layer fabricated by low-temperature processes at 300 °C of atomic layer deposition and post-metallization annealing (PMA) were systematically investigated. The HZO (10 nm)-based MFS capacitors without (w/o) and with 2- and 10-nm-thick ZrO2 films (ZrO2-2 nm and ZrO2-10 nm, respectively) were found to form an extremely thin SiO2 interfacial layer (SiO2-IL) with a thickness of one or two monolayers. The HZO film in the TiN/ZrO2/HZO/SiO2/Si capacitors formed the ferroelectric orthorhombic phase even with a low thermal budget of 300 °C; in contrast, that of the w/o capacitor exhibited a predominantly amorphous structure. This result is attributed to the polycrystalline ZrO2 film acting as a nucleation layer for the crystallization of an amorphous HZO film during PMA treatment. Therefore, the remnant polarization (2Pr) increased in the order of w/o (2.2 µC/cm2) < ZrO2-2 nm (6.8 µC/cm2) < ZrO2-10 nm (15 µC/cm2). The endurance properties of the ZrO2-10 nm capacitor were free from the wake-up effect and exhibited less degradation because of the insertion of a thick ZrO2 film of 10 nm at the TiN/HZO interface, which promoted the preferential formation of the ferroelectric orthorhombic phase and prevented the formation of oxygen vacancies at the ZrO2/HZO interface. These results suggest that superior ferroelectricity with wake-up-free properties and higher fatigue resistance of HZO-based MFS capacitors can be achieved by a low-temperature fabrication technique (300 °C) using a top ZrO2 nucleation layer.
      Citation: APL Materials
      PubDate: 2022-05-16T11:38:05Z
      DOI: 10.1063/5.0091661
       
  • Enhanced hole injection and transport property of thermally deposited
           copper thiocyanate (CuSCN) for organic light-emitting diodes

    • Authors: Hui Ung Hwang, Jiyoung Yoon, Youn-Seoung Lee, Jangwon Lee, Jonghee Lee, Kyung-Geun Lim, Jeong Won Kim
      Abstract: APL Materials, Volume 10, Issue 5, May 2022.
      Due to its high conductivity, broad bandgap, and low manufacturing cost, copper thiocyanate (CuSCN) thin film has been considered a good hole injection layer (HIL)/transport layer in many opto/electronic devices. However, the CuSCN thin films made by the conventional wet process have limitations in terms of interfacial deterioration due to solvent incorporation and charge trap formation due to impurities. We produce a CuSCN film for HIL in organic light-emitting diode (OLED) devices using vacuum deposition and compare it to a solution-processed film. In comparison to the control device, the CuSCN HIL insertion lowers the driving voltage of fabricated OLEDs by 1.0–1.5 V. The low-voltage operation corresponds to better hole transport in hole-only devices. The vacuum-deposited CuSCN, in particular, has an impurity-free composition and a high density of band-tail states, according to chemical and electronic structural studies. Because of their outstanding quality, vacuum-deposited CuSCN films show clear advantages over solution-based films in device performance and manufacture.
      Citation: APL Materials
      PubDate: 2022-05-13T02:56:56Z
      DOI: 10.1063/5.0091055
       
  • Thickness and temperature dependence of the atomic-scale structure of
           SrRuO3 thin films

    • Authors: Xuanyi Zhang, Aubrey N. Penn, Lena Wysocki, Zhan Zhang, Paul H. M. van Loosdrecht, Lior Kornblum, James M. LeBeau, Ionela Lindfors-Vrejoiu, Divine P. Kumah
      Abstract: APL Materials, Volume 10, Issue 5, May 2022.
      The temperature-dependent layer-resolved structure of 3 to 44 unit cell thick SrRuO3 (SRO) films grown on Nb-doped SrTiO3 substrates is investigated using a combination of high-resolution synchrotron x-ray diffraction and high-resolution electron microscopy to understand the role that structural distortions play in suppressing ferromagnetism in ultra-thin SRO films. The oxygen octahedral tilts and rotations and Sr displacements characteristic of the bulk orthorhombic phase are found to be strongly dependent on temperature, the film thickness, and the distance away from the film–substrate interface. For thicknesses, t, above the critical thickness for ferromagnetism (t> 3 uc), the orthorhombic distortions decrease with increasing temperature above TC. Below TC, the structure of the films remains constant due to the magneto-structural coupling observed in bulk SRO. The orthorhombic distortions are found to be suppressed in the 2–3 interfacial layers due to structural coupling with the SrTiO3 substrate and correlate with the critical thickness for ferromagnetism in uncapped SRO films.
      Citation: APL Materials
      PubDate: 2022-05-11T11:26:54Z
      DOI: 10.1063/5.0087791
       
  • Advances and key technologies in magnetoresistive sensors with high
           thermal stabilities and low field detectivities

    • Authors: Byeonghwa Lim, Mohamed Mahfoud, Proloy T. Das, Taehyeong Jeon, Changyeop Jeon, Mijin Kim, Trung-Kien Nguyen, Quang-Hung Tran, Ferial Terki, CheolGi Kim
      Abstract: APL Materials, Volume 10, Issue 5, May 2022.
      Advances in micro- and nanotechnology have led to rapid employment of spintronic sensors in both recording and non-recording applications. These state-of-the-art magnetoresistive spintronic sensors exhibit high sensitivities and ultra-low field detectivities that meet requirements of smart sensing applications in the fields of internet of things, mobile devices, space technology, aeronautics, magnetic flux leakage, domotics, the environment, and healthcare. Moreover, their ability to be customized and miniaturized, ease of integration, and cost-effective nature make these sensors uniquely competitive with regard to mass production. In this study, we discuss magnetoresistive field sensors based on the planar-Hall effect, which are very promising for their high sensitivity and sensing ultra-low magnetic fields. We provide a detailed historical overview and discuss recent dramatic developments in several application fields. In addition, we discuss sensor material property requirements, design architectures, noise-reduction techniques, and sensing capabilities, along with the high repeatabilities and good flexibility characteristics of such devices. All of these high-performance characteristics apply across a wide temperature range and make the sensor robust when used in various novel applications. The sensor also appears promising because it is cost-effective and can be used in micro-sensing applications. Recently, a noteworthy study that combined integrated planar-Hall magnetoresistive sensors with microfluidic channels revealed their potential for highly localized magnetic field sensing. This characteristic makes them suitable for point-of-care-technologies that require resolutions of a few pT at room temperature.
      Citation: APL Materials
      PubDate: 2022-05-11T11:26:44Z
      DOI: 10.1063/5.0087311
       
  • 200 mm-scale growth of 2D layered GaSe with preferential orientation

    • Authors: Mickaël Martin, Pascal Pochet, Hanako Okuno, Carlos Alvarez, Edith Bellet-Amalric, Pauline Hauchecorne, Théo Levert, Bernard Pelissier, Łukasz Borowik, Franck Bassani, Sylvain David, Jeremy Moeyaert, Thierry Baron
      Abstract: APL Materials, Volume 10, Issue 5, May 2022.
      In this article, we present a fab-compatible metal–organic chemical vapor deposition growth process, realized in a hydrogen ambience, of two-dimensional (2D) layered GaSe on 200 mm diameter Si(111) wafers. Atomic scale characterization reveals initial stages of growth consisting of passivation of the H–Si (111) surface by a half-monolayer of GaSe, followed by nucleation of 2D-GaSe from the screw dislocations located at the step edges of the substrate. We, thus, demonstrate that by using a Si wafer that is slightly misoriented toward [math], the crystallographic orientation of 2D-GaSe can be step-edge-guided. It results in a coalesced layer that is nearly free from antiphase boundaries. In addition, we propose a sequential process to reduce the density of screw dislocations. This process consists in a subsequent regrowth after partial sublimation of the initially grown GaSe film. The local band bending in GaSe near the antiphase boundaries measured by Kelvin probe force microscopy emphasizes the electrical activity of these defects and the usefulness of having a nearly single-orientation film. Such a low defectivity layer opens up the way toward large-scale integration of 2D-optical transceivers in Si CMOS technology.
      Citation: APL Materials
      PubDate: 2022-05-09T03:38:03Z
      DOI: 10.1063/5.0087684
       
  • Functionalized hybridization of bismuth nanostructures for highly improved
           nanophotonics

    • Authors: Mengke Wang, Yi Hu, You Zi, Weichun Huang
      Abstract: APL Materials, Volume 10, Issue 5, May 2022.
      Bismuth (Bi) has achieved remarkable progress due to its intriguing physicochemical properties, such as low toxicity, controllable stability, tunable bandgap, superior optical response, and strong diamagnetism. Bi-based hybrids have drawn increasing attention in recent years due to the integrated features of the Bi component and the synergistic effect on the separation and transfer of charges, holding great promises for versatile applications. In this Perspective, we systematically review the recent progress on the controlled synthesis of Bi-based heterostructures and their improved nanophotonic performances compared with those of mono-element Bi counterparts and present the existing challenges and future opportunities. It is anticipated that this Perspective can shed light on new designs of high-performance functional Bi-based heterostructures to meet the growing demand for next-generation nanophotonic systems.
      Citation: APL Materials
      PubDate: 2022-05-06T03:15:26Z
      DOI: 10.1063/5.0091341
       
  • Understanding the growth of high-aspect-ratio grains in granular L10-FePt
           thin-film magnetic media

    • Authors: Chengchao Xu, Bing Zhou, Tianxiang Du, B. S. D. Ch. S. Varaprasad, David E. Laughlin, Jian-Gang (Jimmy) Zhu
      Abstract: APL Materials, Volume 10, Issue 5, May 2022.
      A systematic investigation has been performed to optimize the microstructure of L10-FePt–SiOx granular thin films as recording media for heat-assisted magnetic recording. The FePt–boron nitride (BN) nucleation layer, which is stable even at 700 °C, is used to control the grain sizes and microstructure during the high-temperature processing. The study finds that films of high-aspect-ratio FePt grains with well-formed silicon oxide (SiOx) grain boundaries require the grading of the deposition temperature during film growth as well as the grading of the silicon oxide concentration. Well-isolated columnar grains of L10-FePt with an average height greater than 11 nm and diameters less than 7 nm have been achieved. Transmission electron microscopy analysis of the microstructures of samples produced under a variety of non-optimal conditions is presented to show how the microstructure of the films depends on each of the sputtering parameters.
      Citation: APL Materials
      PubDate: 2022-05-05T05:14:16Z
      DOI: 10.1063/5.0089009
       
  • Limited information of impedance spectroscopy about electronic diffusion
           transport: The case of perovskite solar cells

    • Authors: Agustín Bou, Adam Pockett, Héctor Cruanyes, Dimitrios Raptis, Trystan Watson, Matthew J. Carnie, Juan Bisquert
      Abstract: APL Materials, Volume 10, Issue 5, May 2022.
      Impedance Spectroscopy (IS) has proven to be a powerful tool for the extraction of significant electronic parameters in a wide variety of electrochemical systems, such as solar cells or electrochemical cells. However, this has not been the case with perovskite solar cells, which have the particular ionic-electronic combined transport that complicates the interpretation of experimental results due to an overlapping of different phenomena with similar characteristic frequencies. Therefore, the diffusion of electrons is indistinguishable on IS, and there appears the need to use other small perturbation experimental techniques. Here, we show that voltage-modulated measurements do not provide the same information as light-modulated techniques. We investigate the responses of perovskite solar cells to IS, Intensity-Modulated Photocurrent Spectroscopy (IMPS) and Intensity-Modulated Photovoltage Spectroscopy (IMVS). We find that the perturbations by light instead of voltage can uncover the electronic transport from other phenomena, resulting in a loop in the high-frequency region of the complex planes of the IMPS and IMVS spectra. The calculated responses are endorsed by the experimental data that reproduce the expected high frequency loops. Finally, we discuss the requirement to use a combination of small perturbation techniques for successful estimation of diffusion parameters of perovskite solar cells.
      Citation: APL Materials
      PubDate: 2022-05-04T12:34:45Z
      DOI: 10.1063/5.0087705
       
  • Structural and electronic properties of NbN/GaN junctions grown by
           molecular beam epitaxy

    • Authors: John G. Wright, Celesta S. Chang, David A. Muller, Huili G. Xing, Debdeep Jena
      Abstract: APL Materials, Volume 10, Issue 5, May 2022.
      We report the structural and electronic properties of NbN/GaN junctions grown by plasma-assisted molecular beam epitaxy. High crystal-quality NbN films grown on GaN exhibit superconducting critical temperatures in excess of 10 K for thicknesses as low as 3 nm. We observe that the NbN lattice adopts the stacking sequence of the underlying GaN and that domain boundaries in the NbN thereby occur at the site of atomic steps in the GaN surface. The electronic properties of the NbN/GaN junction are characterized using Schottky barrier diodes. Current–voltage–temperature and capacitance–voltage measurements are used to determine the Schottky barrier height of the NbN/GaN junction, which we conclude is ∼1.3 eV.
      Citation: APL Materials
      PubDate: 2022-05-03T02:32:52Z
      DOI: 10.1063/5.0083184
       
  • Lithium-based vertically aligned nancomposite films incorporating
           LixLa0.32(Nb0.7Ti0.32)O3 electrolyte with high Li+ ion conductivity

    • Authors: Adam J. Lovett, Ahmed Kursumovic, Siân Dutton, Zhimin Qi, Zihao He, Haiyan Wang, Judith L. MacManus-Driscoll
      Abstract: APL Materials, Volume ANTB2022, Issue 1, May 2022.
      Vertically aligned nanocomposite (VAN) thin films have shown strong potential in oxide nanoionics but are yet to be explored in detail in solid-state battery systems. Their 3D architectures are attractive because they may allow enhancements in capacity, current, and power densities. In addition, owing to their large interfacial surface areas, the VAN could serve as models to study interfaces and solid-electrolyte interphase formation. Here, we have deposited highly crystalline and epitaxial vertically aligned nanocomposite films composed of a LixLa0.32±0.05(Nb0.7±0.1Ti0.32±0.05)O3±δ-Ti0.8±0.1Nb0.17±0.03O2±δ-anatase [herein referred to as LL(Nb, Ti)O-(Ti, Nb)O2] electrolyte/anode system, the first anode VAN battery system reported. This system has an order of magnitude increased Li+ ionic conductivity over that in bulk Li3xLa1/3−xNbO3 and is comparable with the best available Li3xLa2/3−xTiO3 pulsed laser deposition films. Furthermore, the ionic conducting/electrically insulating LL(Nb, Ti)O and electrically conducting (Ti, Nb)O2 phases are a prerequisite for an interdigitated electrolyte/anode system. This work opens up the possibility of incorporating VAN films into an all solid-state battery, either as electrodes or electrolytes, by the pairing of suitable materials.
      Citation: APL Materials
      PubDate: 2022-05-03T02:31:52Z
      DOI: 10.1063/5.0086844@apm.2022.ANTB2022.issue-1
       
  • Lithium-based vertically aligned nancomposite films incorporating
           LixLa0.32(Nb0.7Ti0.32)O3 electrolyte with high Li+ ion conductivity

    • Authors: Adam J. Lovett, Ahmed Kursumovic, Siân Dutton, Zhimin Qi, Zihao He, Haiyan Wang, Judith L. MacManus-Driscoll
      Abstract: APL Materials, Volume 10, Issue 5, May 2022.
      Vertically aligned nanocomposite (VAN) thin films have shown strong potential in oxide nanoionics but are yet to be explored in detail in solid-state battery systems. Their 3D architectures are attractive because they may allow enhancements in capacity, current, and power densities. In addition, owing to their large interfacial surface areas, the VAN could serve as models to study interfaces and solid-electrolyte interphase formation. Here, we have deposited highly crystalline and epitaxial vertically aligned nanocomposite films composed of a LixLa0.32±0.05(Nb0.7±0.1Ti0.32±0.05)O3±δ-Ti0.8±0.1Nb0.17±0.03O2±δ-anatase [herein referred to as LL(Nb, Ti)O-(Ti, Nb)O2] electrolyte/anode system, the first anode VAN battery system reported. This system has an order of magnitude increased Li+ ionic conductivity over that in bulk Li3xLa1/3−xNbO3 and is comparable with the best available Li3xLa2/3−xTiO3 pulsed laser deposition films. Furthermore, the ionic conducting/electrically insulating LL(Nb, Ti)O and electrically conducting (Ti, Nb)O2 phases are a prerequisite for an interdigitated electrolyte/anode system. This work opens up the possibility of incorporating VAN films into an all solid-state battery, either as electrodes or electrolytes, by the pairing of suitable materials.
      Citation: APL Materials
      PubDate: 2022-05-03T02:31:52Z
      DOI: 10.1063/5.0086844
       
  • Observation of dislocations in thick β-Ga2O3 single-crystal substrates
           using Borrmann effect synchrotron x-ray topography

    • Authors: Yongzhao Yao, Keiichi Hirano, Yoshihiro Sugawara, Kohei Sasaki, Akito Kuramata, Yukari Ishikawa
      Abstract: APL Materials, Volume 10, Issue 5, May 2022.
      We performed Borrmann effect x-ray topography (XRT) to observe dislocations and other structural defects in a thick β-Ga2O3 (001) substrate. The Borrmann effect was realized by working in a symmetrical Laue geometry (g = 020). Anomalous transmission occurred under the exact Bragg condition, producing a strong diffraction beam that allowed us to image defects across the entire thickness of the substrate. The analysis clearly revealed straight b-axis screw-type and curved dislocations and allowed assessing the corresponding behaviors. Other structural defects, including pipe-shaped voids and dislocation loops produced by mechanical damage, were also observed. Finally, we compared Borrmann effect transmission topography and conventional reflection topography and explained the appearance of some characteristic defects in the two modes. Our results show that Borrmann effect XRT is a powerful and effective technique to study the spatial distribution and structural properties of defects in highly absorbing β-Ga2O3.
      Citation: APL Materials
      PubDate: 2022-05-03T02:30:32Z
      DOI: 10.1063/5.0088701
       
  • Synthesis of high-density olivine LiFePO4 from paleozoic siderite FeCO3
           and its electrochemical performance in lithium batteries

    • Authors: Wesley M. Dose, Cameron Peebles, James Blauwkamp, Andrew N. Jansen, Chen Liao, Christopher S. Johnson
      Abstract: APL Materials, Volume ANTB2022, Issue 1, May 2022.
      The lithium-ion cathode material olivine LiFePO4 (LFP) has been synthesized for the first time from natural paleozoic iron carbonate (FeCO3). The ferrous carbonate starting material consists of the mineral siderite at about 92 wt. % purity. Because FeCO3 has divalent iron, the reaction with lithium dihydrogen phosphate (LiH2PO4) provides a unique method to develop iron-(II) containing LFP in an inert atmosphere. Since siderite FeCO3 is a common mineral that can be directly mined, it may, therefore, provide an inexpensive route for the production of LFP. After carbon-coating, the LFP yields a capacity in the range of 80–110 mAh g−1LFP (in one chosen specimen sample), which is lower than commercially available LiFePO4 (150–160 mAh g−1LFP). However, the tap density of LFP derived from siderite is noticeably high at 1.65 g cm−3. The material is likely to be improved with powder purification, nanosized processing, and more complete carbon-coating coverage with increased optimization.
      Citation: APL Materials
      PubDate: 2022-04-27T12:40:23Z
      DOI: 10.1063/5.0084105@apm.2022.ANTB2022.issue-1
       
  • Composition dependent electrochemical properties of earth-abundant ternary
           nitride anodes

    • Authors: M. Brooks Tellekamp, Anna Osella, Karen N. Heinselman, Adele C. Tamboli, Chunmei Ban
      Abstract: APL Materials, Volume ANTB2022, Issue 1, May 2022.
      Growing energy storage demands on lithium-ion batteries necessitate exploration of new electrochemical materials as next-generation battery electrode materials. In this work, we investigate the previously unexplored electrochemical properties of earth-abundant and tunable Zn1−xSn1+xN2 (x = −0.4 to x = 0.4) thin films, which show high electrical conductivity and high gravimetric capacity for Li insertion. Enhanced cycling performance is achieved compared to previously published end-members Zn3N2 and Sn3N4, showing decreased irreversible loss and increased total capacity and cycle stability. The average reversible capacity observed is>1050 mAh/g for all compositions and 1220 mAh/g for Zn-poor (x = 0.2) films. Extremely Zn-rich films (x = −0.4) show improved adhesion; however, Zn-rich films undergo a phase transformation on the first cycle. Zn-poor and stoichiometric films do not exhibit significant phase transformations which often plague nitride materials and show no required overpotential at the 0.5 V plateau. Cation composition x is explored as a mechanism for tuning relevant mechanical and electrochemical properties, such as capacity, overpotential, phase transformation, electrical conductivity, and adhesion. The lithiation/delithiation experiments confirm the reversible electrochemical reactions. Without any binding additives, the as-deposited electrodes delaminate resulting in fast capacity degradation. We demonstrate the mechanical nature of this degradation through decreased electrode thinning, resulting in cells with improved cycling stability due to increased mechanical stability. Combining composition and electrochemical analysis, this work demonstrates for the first time composition dependent electrochemical properties for the ternary Zn1−xSn1+xN2 and proposes earth-abundant ternary nitride anodes for increased reversible capacity and cycling stability.
      Citation: APL Materials
      PubDate: 2022-04-13T04:20:31Z
      DOI: 10.1063/5.0083998@apm.2022.ANTB2022.issue-1
       
  • Heteroatom-doped carbon anode materials for potassium-ion batteries: From
           mechanism, synthesis to electrochemical performance

    • Authors: Yang Wang, Fei Yuan, Zhaojin Li, Di Zhang, Qiyao Yu, Bo Wang
      Abstract: APL Materials, Volume ANTB2022, Issue 1, May 2022.
      Carbonaceous materials are attractive anode candidates for potassium-ion batteries (PIBs) because of their cost-effectiveness, high conductivity, and considerable architecture. However, these carbon materials usually exhibit slow diffusion kinetics and huge volume variation induced by the large ionic size of K-ions, resulting in poor rate capability and cycling stability. Compared to pure carbon, heteroatom (N, S, P, and O)-doped carbons can well improve potassium storage performance by optimizing K-adsorption ability and conductivity, and, hence, exhibit a significant potential in PIBs. This review in-detail summarizes the recent progress of heteroatom-doped carbon anodes based on potassium storage mechanism, design or synthesis strategies, and electrochemical performance, mainly including single-, bi-, and tri-element doped carbons. Moreover, some critical issues and possible solutions for the development of heteroatom-doped carbon in the future are discussed. This review aims at providing a deep insight into the understanding, designing, and application of heteroatom-doped carbon anodes in PIBs and is expected to make an obvious effect on the exploration of other anodes.
      Citation: APL Materials
      PubDate: 2022-03-23T06:03:10Z
      DOI: 10.1063/5.0086874@apm.2022.ANTB2022.issue-1
       
  • Sodium and potassium ion rich ferroelectric solid electrolytes for
           traditional and electrode-less structural batteries

    • Authors: Federico Danzi, Mafalda Valente, Sylwia Terlicka, M. Helena Braga
      Abstract: APL Materials, Volume ANTB2022, Issue 1, May 2022.
      The transition to a sustainable society is vital and requires electrification. Sodium and potassium ion-based electrolytes will likely play an important role in energy storage as these elements are very abundant. The latter cations and chloride are especially interesting since life on the planet is somehow based on biological transfers of these ions through cell membranes. K+ is the key charge carrier in plants. Here, we characterize electrochemically, electrostatically, and structurally novel electrolytes, K3ClO and K2.99Ba0.005ClO, and compare their performance with Na3ClO and Na2.99Ba0.005ClO in symmetric and asymmetric structural electrode-less cells, such as K/K2.99Ba0.005ClO in a cellulose membrane/K, Na/Na2.99Ba0.005ClO in a cellulose membrane/Na, Al/K2.99Ba0.005ClO composite/Cu, and Al/Na2.99Ba0.005ClO composite/Cu, at temperatures that range from −45 to 65 °C. An ab initio molecular dynamics structural study followed by band structure determination using density functional theory and hybrid simulations allowed us to compare the amorphous character of the structures, bandgap, and electron localization function for both K3ClO at 25 °C and Na3ClO at 37 °C, temperatures at which preliminary studies indicate that these compounds are already amorphous. As in Na+-based electrolytes, the ferroelectric character of the K+-based electrolytes is well recognizable, especially at −45 °C, where the relative real permittivity achieves 1013 in K/K2.99Ba0.005ClO in cellulose membrane/K symmetric cells for an ionic conductivity of ∼120 mS/cm. As in Na+-based electrodes-less structural battery cells, self-charge and self-cycling phenomena are also demonstrated reinforcing the ferroelectric nature of the A3ClO (A = Li, Na, and K) family of electrolytes. These studies may contribute to understanding the K+ and Na+ transfer behavior in energy harvesting and storage as well as the biologic world.
      Citation: APL Materials
      PubDate: 2022-03-17T06:00:43Z
      DOI: 10.1063/5.0080054@apm.2022.ANTB2022.issue-1
       
  • Accelerating cathode material discovery through ab initio random structure
           searching

    • Authors: Bonan Zhu, Ziheng Lu, Chris J. Pickard, David O. Scanlon
      Abstract: APL Materials, Volume ANTB2022, Issue 1, May 2022.
      The choice of cathode material in Li-ion batteries underpins their overall performance. Discovering new cathode materials is a slow process, and all major commercial cathode materials are still based on those identified in the 1990s. Discovery of materials using high-throughput calculations has attracted great research interest; however, reliance on databases of existing materials begs the question of whether these approaches are applicable for finding truly novel materials. In this work, we demonstrate that ab initio random structure searching (AIRSS), a first-principles structure prediction method that does not rely on any pre-existing data, can locate low energy structures of complex cathode materials efficiently based only on chemical composition. We use AIRSS to explore three Fe-containing polyanion compounds as low-cost cathodes. Using known quaternary LiFePO4 and quinary LiFeSO4F cathodes as examples, we easily reproduce the known polymorphs, in addition to predicting other, hitherto unknown, low energy polymorphs and even finding a new polymorph of LiFeSO4F that is more stable than the known ones. We then explore the phase space for Fe-containing fluoroxalates, predicting a range of redox-active phases that are yet to be experimentally synthesized, demonstrating the suitability of AIRSS as a tool for accelerating the discovery of novel cathode materials.
      Citation: APL Materials
      PubDate: 2021-12-20T05:16:25Z
      DOI: 10.1063/5.0076220@apm.2022.ANTB2022.issue-1
       
 
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