OAJ Materials and Devices http://caip.co-ac.com/index.php/materialsanddevices <p>Materials and Devices is an Open Access journal managed by academics, which publishes original, and peer-reviewed papers accessible only via internet, freely for all. Your published article can be freely downloaded, and self archiving of your paper is allowed and encouraged!</p> <p>The topics covered by the journal are wide, Materials and Devices aims at publishing papers on all aspects of studies on materials, and related devices. This includes solid state physics and chemistry, chemical physics, materials science, microelectronics, photonics,... and all types of materials.</p> <p>Papers on biomaterials, geomaterials, archeomaterials or on studies of ancient materials are also welcome. A particular attention is also paid on environmental studies related with materials and on materials relevant to environment preservation.</p> <p>Authors are also encouraged to submit papers on theoretical studies applied to materials, including pure mathematical approaches, physical approaches, models, numerical simulations, etc.</p> <p>We apply « the principles of transparency and best practice in scholarly publishing» as defined by the Committee on Publication Ethics (COPE).<br /><br />Materials and Devices is now indexed by the DOAJ and published articles receive a DOI. </p> <p>Articles are published under the responsability of authors, in particular concerning the respect of copyrights; we ask authors to consider this point very seriously because any figure (or table) already published (even by the author himself) in another journal is generally submitted to copyrights. In that case authors should ask for permission to reproduce the figure in his article.</p> <p>Another very important point is plagiarism. Authors should be careful not to plagiarize other works; we check articles for plagiarism, and authors who would submit a plagiarized article (or partially plagiarized) will be bannished from the journal.</p> <p>Readers are aware that the contents of published articles may involve hazardous experiments if reproduced; the reproduction of experimental procedures described in articles is under the responsability of readers and their own analysis of potential danger.</p> <p><strong>Downloads: <a href="http://co-ac.com/wp-content/uploads/2019/05/Flier-MatDev2019.pdf">Flier of the journal </a> Article templates:</strong> there is a special template for review articles, other types of articles may be edited with the general template. See the last issue of the journal to get the updated templates, containing also instructions for authors.</p> Collaborating Academics en-US OAJ Materials and Devices 2495-3911 <p><strong>Authors who publish with this journal agree to the following terms:</strong><br /><br /></p> <ol type="a"> <ol type="a"> <li>Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution License ( <a href="http://creativecommons.org/licenses/by-nc-nd/4.0/" rel="license">Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International Licens</a>e) that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.</li> <li>To the extent transferable, copyright in and to the undersigned article is hereby assigned to Collaborating Academics and Open Access Journal Materials and Devices (ISSN: 2495-3911) for publication in the website of the journal and as part of a book (eventually a special volume) that could be produced in a printed and/or an electronic form.</li> <li>Authors are permitted and encouraged to post their work online (e.g., in institutional repositories or on their website) prior to and during the submission process, as it can lead to productive exchanges, as well as earlier and greater citation of published work (See <a style="background-color: #ffffff;" href="http://opcit.eprints.org/oacitation-biblio.html" target="_new">The Effect of Open Access</a>).</li> <li>Figures, tables, and other information present in articles published in the OAJ Materials and Devices may be reused without permission, provided the citation of original article is made in figure's or table's caption.</li> </ol> </ol> Temperature phase transitions in Rb2KRe3+F6 elpasolites - Raman spectroscopy study http://caip.co-ac.com/index.php/materialsanddevices/article/view/94 <p>Phase transitions in crystals of fluorine-containing elpasolites are investigated by Raman scattering spectroscopy. It was found that lattice instabilities in these crystals are induced by soft mode condensations, while restorations of these modes in the distorted phases have not been observed due to their strong interactions with low-frequency noncritical lattice vibrations. Increasing the mass of a rare-earth ions shifts down frequencies of noncritical modes, that enhances these interactions and leads to a narrowing of the range of existence of intermediate phase and then to its disappearance.</p> Alexander N VTYURIN Alexander S. Krylov Svetlana N. Krylova Yulia V. Gerasimova Alexander A. Ivanenko Vladimir N. Voronov Copyright (c) 2021 Alexander N VTYURIN, Alexander S. Krylov, Svetlana N. Krylova, Yulia V. Gerasimova, Alexander A. Ivanenko, Vladimir N. Voronov https://creativecommons.org/licenses/by-nc-nd/4.0 2021-11-29 2021-11-29 5 1 Amorphous materials based on perovskite ferroelectrics http://caip.co-ac.com/index.php/materialsanddevices/article/view/130 <p>The methods of preparation, as well as the structure and most relevant physical<br>properties of amorphous materials based on ferroelectrics with perovskite structure are<br>reviewed. The theoretical basis for the possibility of ferroelectricity in non-crystalline solids is<br>discussed. The structural relaxation in a glassy state and the crystallization processes<br>leading to the formation of a ferroelectric phase are considered. The structure and physical<br>properties of thin-film amorphous ferroelectrics that demonstrate noticeable differences from<br>the properties of the same materials in bulk state are discussed separately</p> S.A. Gridnev Leonid Nikolaevich Korotkov Copyright (c) 2021 S.A. Gridnev, Leonid Nikolaevich Korotkov https://creativecommons.org/licenses/by-nc-nd/4.0 2021-01-14 2021-01-14 5 1 Phonons and relaxations in unfilled tetragonal tungsten-bronzes http://caip.co-ac.com/index.php/materialsanddevices/article/view/92 The lead-free unfilled tetragonal tungsten-bronzes SBN and CBN are investigated by Raman, infrared and high-frequency dielectric spectroscopies. The substitution in the different channels affects phonons as well as relaxations. Relaxations in SBN show similar qualitative behaviour on increasing Sr content and relaxor behaviour, but for the extreme relaxor samples all characteristic frequencies are higher with stronger contribution to the permittivity in the GHz-THz range is stronger. The presence of a soft anharmonic central mode in the THz range together with the slowing down of a relaxation from GHz to MHz ranges reveals the coexistence of displacive and order-disorder scenarios for the ferroelectric phase transition in this family. Elena Buixaderas Jan Dec Copyright (c) 2021 Elena Buixaderas https://creativecommons.org/licenses/by-nc-nd/4.0 2021-11-29 2021-11-29 5 1 Chap.3 The intricate lattice dynamics of perovskite oxides http://caip.co-ac.com/index.php/materialsanddevices/article/view/116 <p>&nbsp;</p> <p style="margin: 6pt 0cm 6pt 2cm; line-height: 115%;"><span style="font-family: Arial;"><span style="line-height: 115%; font-size: 8pt; mso-bidi-font-family: Verdana; mso-ansi-language: EN-US; mso-bidi-font-weight: bold;">The lattice dynamics of perovskite oxides </span><span style="line-height: 115%; font-size: 8pt; mso-bidi-font-family: Verdana; mso-ansi-language: EN-US;">are investigated theoretically within the polarizability model<span style="mso-spacerun: yes;">&nbsp; </span>which is a nonlinear approach taking into account anharmonic electron-lattice interactions. The emphasis is on local lattice anomalies which appear in the phonon modes dispersion. Above the actual phase transition temperature finite size polarized clusters appear at an onset temperature <em style="mso-bidi-font-style: normal;">T</em><sub>BH</sub> which marks the precursor formation temperature. These local anomalies appear as well experimentally and are reviewed for various perovskite compounds.<span style="mso-spacerun: yes;">&nbsp; </span></span></span></p> <p>&nbsp;</p> Annette Bussmann-Holder Jae-Hyeon Ko Krystian Roleder Copyright (c) 2021 Annette Bussmann-Holder, Jae-Hyeon Ko, Krystian Roleder https://creativecommons.org/licenses/by-nc-nd/4.0 2021-11-28 2021-11-28 5 1 Graphene-titanate photocatalyst and its use in an air purifying device - prototype demonstration in operational environment http://caip.co-ac.com/index.php/materialsanddevices/article/view/123 <p class="western" lang="es-ES" align="justify"><sub><span style="font-family: Arial, sans-serif;"><span style="font-family: Verdana, sans-serif;"><span lang="en-US">Volatile organic compounds constitute a group of dangerous air pollutants, which can be eliminated by the photocatalytic route. In this work we demonstrated the hydrothermal synthesis of photocatalytic composite CTO-RGO based on copper titanate and reduced graphene oxide. </span></span><span style="color: #000000;"><span style="font-family: Verdana, sans-serif;"><span lang="en-US">The m</span></span></span><span style="font-family: Verdana, sans-serif;"><span lang="en-US">aterial is composed of three phases namely rutile, tenorite and reduced graphene oxide, and it shows absorption in a broad range of light (ultraviolet and visible light). CTO-RGO showed an excellent photocatalytic activity in a laboratory scale experiment. Therefore it has been used as an active material in air purifying devices. A prototype was tested in operational environments such as apartment, fitness center and industrial places. Obtained results confirmed the significant decrease of VOC level due to photocatalytic degradation of pollutants.</span></span></span></sub></p> Tomasz Baran Szymon Wojtyła Copyright (c) 2021 Tomasz Baran, Szymon Wojty?a https://creativecommons.org/licenses/by-nc-nd/4.0 2021-03-12 2021-03-12 5 1 THEORETICAL STUDY OF SPECTRAL RESPONSES OF HETEROJONCTIONS BASED ON CuInSe2 and CuInS2 http://caip.co-ac.com/index.php/materialsanddevices/article/view/120 <p>In this work we study the spectral responses of thin films solar cells of heterojunctions based on CuInSe<sub>2</sub> and CuInS<sub>2</sub>. Four-layer structures are studied according to the n<sup>+</sup>n/pp<sup>+</sup> model. First we consider the structure&nbsp; ZnO(n<sup>+</sup>)/CdS(n)/CuInS<sub>2</sub>(p)/CuInSe<sub>2</sub>(p<sup>+</sup>) where CuInS<sub>2</sub> represent the base and CuInSe<sub>2</sub> the substrate in this model. Secondly we consider the structure ZnO(n<sup>+</sup>)/CdS(n)/CuInSe<sub>2</sub>(p)/ CuInS<sub>2</sub>(p<sup>+</sup>), for this model CuInSe<sub>2</sub> represent the base and CuInS<sub>2</sub> the substrate. ZnO and CdS are used as window layers in each structure. Using the continuity equation that governs transport of carriers in semiconductor material, models for calculating spectral responses are proposed for heterojunctions type n<sup>+</sup>n/pp<sup>+</sup> based on CuInSe<sub>2</sub> and CuInS<sub>2</sub>. For each structure we have presented the energy band diagram based on the Anderson model [1] and determined the expression of the photocurrent. The theoretical results obtained allow to compare the performances of these two models by optimizing the different parameters of each structure (base thickness, diffusion length, recombination velocity at the interface, etc.) in order to improve the overall efficiency of the collection of carriers.</p> elou keita B. ndiaye M. Dia Y. Tabar C. Sene B. Mbow Copyright (c) 2020 elou keita, Dr B. ndiaye, Dr M. Dia, Dr Y. Tabar, Dr C. Sene, Dr B. Mbow https://creativecommons.org/licenses/by-nc-nd/4.0 2020-08-19 2020-08-19 5 1 Structural distortions of orthorhombic RFeO3 and RMnO3 http://caip.co-ac.com/index.php/materialsanddevices/article/view/99 We will address in detail the structural distortions responsible for the symmetry lowering of the ideal cubic <em>Pm-3m</em> perovskite to the orthorhombic P<em>nma</em> structure of <em>R</em>FeO<sub>3</sub> and <em>R</em>MnO<sub>3</sub> (<em>R</em> = trivalent rare-earth cation), important to the stabilization of the different magnetic and multiferroic phases in these materials. We will also show how the <em>Amplimodes</em> tool of <em>Bilbao Crystallographic Server</em> is useful in quantifying these distortions and establish which phonons can be used as probes of both the octahedra tilting and deformation. Rui Vilarinho Abílio Almeida Joaquim Agostinho Moreira Copyright (c) 2021 Rui Vilarinho, Abílio Almeida, Joaquim Agostinho Moreira https://creativecommons.org/licenses/by-nc-nd/4.0 2021-01-14 2021-01-14 5 1 Naturally Layered Aurivillius Phases: Flexible Scaffolds for the Design of Multiferroic Materials http://caip.co-ac.com/index.php/materialsanddevices/article/view/131 <p>The Aurivillius layer-structures, described by the general formula Bi2O2(Am-1BmO3m+1), are naturally 2-dimensionally nanostructured. They are very flexible<br>frameworks for a wide variety of applications, given that different types of cations can beaccommodated both at the A- and B-sites. In this review article, we describe how the Aurivillius phases are a particularly attractive class of oxides for the design of prospective single phase multiferroic systems for multi-state data storage applications, as they offer the potential to include substantial amounts of magnetic cations within a strongly ferroelectric system. The ability to vary m yields differing numbers of symmetrically distinct B-site locations over which the magnetic cations can be distributed and generates driving forces for cation partitioning and magnetic ordering. We discuss how out-of-phase boundary and<br>stacking fault defects can further influence local stoichiometry and the extent of cation partitioning in these intriguing material systems.</p> Jennifer Halpin Lynette Kenney Copyright (c) 2021 Jennifer Halpin, Lynette Kenney https://creativecommons.org/licenses/by-nc-nd/4.0 2021-12-06 2021-12-06 5 1 Maximally localized rigid unit modes and structural diversity of cristobalite-like crystals http://caip.co-ac.com/index.php/materialsanddevices/article/view/129 <p>It is shown that the particular feature of the ideal beta-cristobalite “C9 lattice” (with<br>space group Fd3m) is the existence of Chain Tilting Modes (CTM) localized within infinite<br>linear chains of the linked tetrahedra. Within a CTM the tetrahedra forming the chain may<br>concordantly rotate without perturbing the rest of the lattice. It is shown that arbitrary Rigid<br>Unit Mode (RUM) of the C9 structure can be represented as a combination of C?Ms. It is<br>also shown that all experimentally determined cristobalite-like crystal structures can be<br>represented as originated from the ideal C9 lattice by a distortion represented as linear<br>combinations of CTMs.</p> Mikhail B. Smirnov Pierre Saint-Gregoire Copyright (c) 2021 Mikhail B. Smirnov, Pierre Saint-Gregoire https://creativecommons.org/licenses/by-nc-nd/4.0 2021-11-29 2021-11-29 5 1 Hybrid organic-inorganic perovskites: a spin-off of oxidic perovskites http://caip.co-ac.com/index.php/materialsanddevices/article/view/114 <p><span class="fontstyle0">ABX</span><span class="fontstyle0">3 </span><span class="fontstyle0">compounds with perovskite structure have been intensively and extensively studied in the last decades in view of their structural richness and amazing variety of interesting properties, such as piezoelectricity, ferroelectricity, ferromagnetism, superconductivity, magnetoresistance, multiferroicity, etc. In this chapter, we recompile well-established chemical and structural concepts in pure inorganic perovskites (mainly oxidic perovskites), and extend them to the young family of hybrid organic-inorganic perovskites. Our final goal is to help understanding the relationships among composition, crystal structure and properties in this new family of compounds, for inspiring further the design of novel materials.</span></p> Alberto Garcia Emilio José Juarez-Pérez Socorro Castro-Garcia Manuel Sanchez-Andujar Maria Antonia Senaris-Rodriguez Copyright (c) 2021 Alberto Garcia, Emilio José Juarez-Pérez, Socorro Castro-Garcia, Manuel Sanchez-Andujar, Maria Antonia Senaris-Rodriguez https://creativecommons.org/licenses/by-nc-nd/4.0 2021-11-28 2021-11-28 5 1 OAJ Materials and Devices, vol 5(1), Chap No 2 in “Perovskites and other framework crystals: new trends and perspectives” (Coll. Acad. 2020) DOI:10.23647/ca.md20202105 http://caip.co-ac.com/index.php/materialsanddevices/article/view/113 <p>The perovskite structure with general formula AB<em>X</em><sub>3</sub> shows its multidimensional nature in regards to correlations of crystal structures with electronic, magnetic, optical, and catalytic properties. Perovskites are utilized in a large range of applications due to their tremendous versatility. In this chapter, structure-properties correlations in oxide perovskite compounds <em>AB</em>O<sub>3</sub> having several functional properties are presented. In particular, neutron and x-ray diffraction results are described to reveal a direct correlation of several important physical properties, such as magnetic, multiferroic, electronic (CMR), and SOFC electrodes with the crystal structures.</p> A. K. Bera S. M. YUSUF Copyright (c) 2021 Dr. A. K. BERA, Prof. S. M. YUSUF https://creativecommons.org/licenses/by-nc-nd/4.0 2021-11-28 2021-11-28 5 1 Perovskites and other framework structure materials (Book's first pages and Preface) http://caip.co-ac.com/index.php/materialsanddevices/article/view/122 <p>Perovskites are among the most famous materials due to their exceptional properties: they present nearly all existing types of interesting properties, in particular as ferroics or multiferroics, they may be insulators, (super)conductors, or semiconductors, magnetoresistant, they are used in numerous devices, they present hundreds of variants and different crystalline phases and phase transitions, and recently appeared as probably the most promising materials for photovoltaics. With a crystal structure characterized by octahedra that share their corners, these materials belong to the wider category of « Framework Structure (FWS) materials » the structure of which is based on units (octahedra, tetrahedra, …) that share some of their corners (or edges) with their neighbours. This particular feature of FWS materials confers to them unique properties. This review volume is constituted of 26 chapters on different aspects, and is divided in two parts, « Fundamental aspects and general properties », and « Elaborated materials and applied properties ». Its main purpose is to attempt to identify the properties common to all members of the vast family of FWS materials, and understand their differences. Besides perovskites, derived compounds as 2D perovskites, Dion-Jacobson, Ruddlesden-Popper, Aurivillius, tungsten-bronzes, and others, are presented, and their preparation and/or properties as single crystals, ceramics, thin films, multilayers, nanomaterials, nanofibers, nanorods, etc, are discussed. We focus on new trends and important recent developments by leaving somewhat aside more classical aspects which can be easily found in older textbooks or review articles. Among most recent applications, this volume focuses on applications related with interactions with other molecules, on photovoltaics, and on memories, with a special attention to perovskite solar cells that have certainly attracted the most attention of researchers in recent years, opening extremely promising routes in photovoltaics.</p> <p>In conclusion, this book presents a collection of texts elucidating various aspects of the relation between structural organization (including dynamical aspects) and singular properties of framework crystals; it proposes a reasonable balance between experimental and theoretical results, and between fundamental aspects and applied properties.</p> <p>This volume can be approached on several levels (each chapter initially assumes that the reader is not a specialist in the subject, and is presented in a pedagogical way) : it is accessible to master or doctoral students, as well as to researchers who want to have informations on recent developments, who will find excellent detailed introductions up to hotsubjects. It may also be used by undergraduate students who should approach given subjects. The volume contains 800 pages written by about 70 authors from different countries, it has an index, and is completed by numerous figures to illustrate the text.</p> Pierre Saint Gregoire Mikhail Smirnov Copyright (c) 2021 Pierre Saint Gregoire; Mikhail Smirnov https://creativecommons.org/licenses/by-nc-nd/4.0 2021-01-19 2021-01-19 5 1 Framework structure crystalline materials and Rigid Unit Modes (RUMs) http://caip.co-ac.com/index.php/materialsanddevices/article/view/111 <p>Book chapter (http://perovskitesandotherfws.co-ac.com)<br />This article reviews Framework Structures (FWSs), defined as crystalline<br />materials built of rigid AX<sub>n</sub> polyhedra sharing vertices (like perovskites, tungsten bronzes,<br />Dion-Jacobson, Ruddlesden-Popper, and Aurivillius phases, quartz, silicates, and others),<br />and their pecularities resulting from this linkage. The situation of rigid units linked by<br />common vertices may allow the units to accomplish concordant rotations without<br />deformation, which gives rise to soft phonon modes called “Rigid Unit Modes” (RUMs). The<br />condensation of a RUM can trigger structural phase transitions to a structure of lower<br />symmetry, with tilted polyhedra, at the origin of spontaneous ferroic or multiferroic<br />properties. We overview results precedently obtained on RUMs in perovskites, tetragonal<br />tungsten bronzes, and quartz, and detail new results on “maximally localized RUMs”<br />(MLRUMs), a fundamental new concept in the physics of RUMs. We introduce also the<br />related new concept of “skeletions” that allows to generate all ferroelastic phases found in<br />these systems, and generalizes the Glazer's tilt-system approach.</p> Pierre Saint Gregoire Mikhail B. Smirnov Copyright (c) 2021 Pierre Saint Gregoire; Mikhail B. Smirnov https://creativecommons.org/licenses/by-nc-nd/4.0 2021-05-05 2021-05-05 5 1 Trigonal double molybdates and tungstates: Ferroelastic phase transitions http://caip.co-ac.com/index.php/materialsanddevices/article/view/103 The overview contains basic information about trigonal double molybdates and tungstates MR(XO<sub>4</sub>)<sub>2</sub>, representing a crystal family with layered structure. Their structure features networks of corner-linked RO<sub>6</sub> octahedra and XO<sub>4 </sub> tetrahedra. Many compounds of this crystal family exhibit ferroelastic phase transitions. Their ferroelastic properties are discussed, with particular emphasis on the peculiarities of the domain structure. An overview of results of studies on ferroelastic phase transitions, obtained with various experimental methods, is provided. Models of trigonal unit cell distortion are presented for monoclinic phases of KSc(MoO<sub>4</sub>)<sub>2</sub> and RbIn(MoO<sub>4</sub>)<sub>2</sub> crystals. Maria Bożena Zapart W. Zapart Copyright (c) 2021 Maria Bożena Zapart https://creativecommons.org/licenses/by-nc-nd/4.0 2021-01-14 2021-01-14 5 1 New template and instructions to authors http://caip.co-ac.com/index.php/materialsanddevices/article/view/107 <p>This document is the new template that may be used to generate manuscripts. However, its use is not required from now, to avoid time losses to authors: it is possible to submit an unformatted manuscript for scientific evaluation. One your article is accepted, you will be asked to upload a version edited using the template.</p> <p>Authors may find general instructions in this template to submit their manuscript.</p> Pierre SAINT-GREGOIRE Copyright (c) 2020 Pierre SAINT-GREGOIRE https://creativecommons.org/licenses/by-nc-nd/4.0 2020-07-08 2020-07-08 5 1 New template for review article http://caip.co-ac.com/index.php/materialsanddevices/article/view/108 <p>This file may be used to generate a review article to be submitted to the journal. It contains also instructions to authors intending to submit a review article.</p><p>However in order to save time to authors, we decided to accept submissions not following any template (continue reading the contents of this template...)</p> Pierre SAINT-GREGOIRE Copyright (c) 2020 Pierre SAINT-GREGOIRE 2020-01-15 2020-01-15 5 1 Organic materials based on thiophene and benzothiadiazole for organic solar cells. Computational investigations http://caip.co-ac.com/index.php/materialsanddevices/article/view/104 <span lang="ES">In this paper, wepresent new organics chemical structures of pendant phenyl ester-substituted thiophene and benzothiadiazole based copolymers leading to donor (D)-acceptor (A) structure-types. Geometrics and photo-physical properties of the studied chemical structure are exploited in the further ground and excited-state. Theoretically, using the DFT and TD-DFT quantum chemical calculation implanted in Gaussian09 software, geometrical and electronic parameters such as the energy of HOMO and LUMO level, the Egap= EHomo- E Lumo and focused electronic parameters of the molecules were determined. It is obvious that the studied molecules show good photovoltaic properties. Thus, studied chemical structures are blended with acceptor compounds such as fullerene and PCBM derivatives in bulk-heterojunction solar cell. Quantic chemical calculations show that the studied compound present good electronic, optical and photovoltaic properties and can be used as potential electron donors in organic solar cells Heterojunction (BHJ).</span> Mohammed Bouachrine Rched Kacimi Mourad Chemek Ahmed Azaid Mohammed Bennani Lahcen Bejjit Copyright (c) 2020 Mohammed Bouachrine, Rched Kacimi, Mourad Chemek, Ahmed Azaid, Mohammed Bennani, Lahcen Bejjit 2020-05-19 2020-05-19 5 1