<?xml version="1.0" encoding="ISO-8859-1"?><article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
<front>
<journal-meta>
<journal-id>2224-5421</journal-id>
<journal-title><![CDATA[Revista Cubana de Química]]></journal-title>
<abbrev-journal-title><![CDATA[Rev Cub Quim]]></abbrev-journal-title>
<issn>2224-5421</issn>
<publisher>
<publisher-name><![CDATA[Ediciones UO, Universidad de Oriente]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S2224-54212023000100003</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[Strontium stannate as an alternative anode for alkali-ion batteries]]></article-title>
<article-title xml:lang="es"><![CDATA[Estanato de estroncio como ánodo alternativo para baterías alcalinas]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Donatién-Caballeros]]></surname>
<given-names><![CDATA[Juan Carlos]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Mut-Benítez]]></surname>
<given-names><![CDATA[Rafael Francisco]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Zulueta]]></surname>
<given-names><![CDATA[Yohandys A.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Tho-Nguyen]]></surname>
<given-names><![CDATA[Minh]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad de Oriente Facultad de Ciencias Naturales y Exactas Departamento de Física]]></institution>
<addr-line><![CDATA[Santiago de Cuba ]]></addr-line>
<country>Cuba</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Universidad de Oriente Facultad de Ciencias Naturales y Exactas Departamento de Física Aplicada]]></institution>
<addr-line><![CDATA[Santiago de Cuba ]]></addr-line>
<country>Cuba</country>
</aff>
<aff id="Af3">
<institution><![CDATA[,Institute for Computational Science and Technology (ICST)  ]]></institution>
<addr-line><![CDATA[Ho Chi Minh City ]]></addr-line>
<country>Vietnam</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>04</month>
<year>2023</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>04</month>
<year>2023</year>
</pub-date>
<volume>35</volume>
<numero>1</numero>
<fpage>3</fpage>
<lpage>13</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://scielo.sld.cu/scielo.php?script=sci_arttext&amp;pid=S2224-54212023000100003&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://scielo.sld.cu/scielo.php?script=sci_abstract&amp;pid=S2224-54212023000100003&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://scielo.sld.cu/scielo.php?script=sci_pdf&amp;pid=S2224-54212023000100003&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[ABSTRACT In this work, the structural, electronic and transport properties of SrSnO3 are explored using density functional theory and forcefield-based simulations. The results of structural and electronic properties are in line with the experiments. Results on alkali ion transport properties reveal lower diffusion activation energies of 0,25; 0,28 and 0,44 eV and diffusion coefficient at ambient temperature of 9,6 × 10-11; 2,9 × 10-11 and 4,8 × 10-13 cm2s-1 for Li-, Na- and K-doped samples, respectively. These predicted properties provides new evidence to consider SrSnO3 for use as an alternative anode, in particular for both Na- and K-ion batteries.]]></p></abstract>
<abstract abstract-type="short" xml:lang="es"><p><![CDATA[RESUMEN En este trabajo se estudiaron las propiedades estructurales, electrónicas y de transporte del SrSnO3, utilizando simulaciones basadas en la teoría de funcionales de densidad y de campo de fuerzas. Los resultados de las propiedades estructurales y electrónicas están acordes con lo reportado experimentalmente. El estudio de las propiedades de transporte de los iones alcalinos revela la presencia de valores de energía de activación para la difusión de 0,25; 0,28 y 0,44 eV, y coeficiente de difusión a temperatura ambiente de 9,6 × 10-11; 2,9 × 10-11 y 4,8 × 10-13 cm2s-1 para las muestras de SrSnO3 dopadas con Li, Na y K, respectivamente. Estas propiedades revelan nuevas evidencias para considerar al SrSnO3 como ánodo en baterías de Li, Na y K.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[SrSnO3]]></kwd>
<kwd lng="en"><![CDATA[Li-ion battery]]></kwd>
<kwd lng="en"><![CDATA[alkali-ion battery]]></kwd>
<kwd lng="en"><![CDATA[atomistic simulations]]></kwd>
<kwd lng="en"><![CDATA[Li-ion migration.]]></kwd>
<kwd lng="es"><![CDATA[SrSnO3]]></kwd>
<kwd lng="es"><![CDATA[batería de ion Li]]></kwd>
<kwd lng="es"><![CDATA[batería alcalina]]></kwd>
<kwd lng="es"><![CDATA[simulaciones atomísticas]]></kwd>
<kwd lng="es"><![CDATA[migración de Li.]]></kwd>
</kwd-group>
</article-meta>
</front><back>
<ref-list>
<ref id="B1">
<label>1</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[AHNIYAZ]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Progress in Solid-State High Voltage Lithium-Ion Battery Electrolytes.]]></article-title>
<source><![CDATA[Advances in Applied Energy]]></source>
<year>2021</year>
<numero>19</numero>
<issue>19</issue>
<page-range>100070</page-range></nlm-citation>
</ref>
<ref id="B2">
<label>2</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[ZHANG]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[SAHOO]]></surname>
<given-names><![CDATA[M. P. K.]]></given-names>
</name>
<name>
<surname><![CDATA[WANG]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Tuning the Band Gap and Polarization of BaSnO3/SrSnO3 Superlattices for Photovoltaic Applications.]]></article-title>
<source><![CDATA[Phys. Chem. Chem. Phys.]]></source>
<year>2017</year>
<volume>19</volume>
<numero>10</numero>
<issue>10</issue>
<page-range>7032-9</page-range></nlm-citation>
</ref>
<ref id="B3">
<label>3</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[WEI]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[SANCHELA]]></surname>
<given-names><![CDATA[A. V.]]></given-names>
</name>
<name>
<surname><![CDATA[FENG]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
<name>
<surname><![CDATA[IKUHARA]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[CHO]]></surname>
<given-names><![CDATA[H. J.]]></given-names>
</name>
<name>
<surname><![CDATA[OHTA]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[High Electrical Conducting Deep-Ultraviolet-Transparent Oxide Semiconductor La-Doped SrSnO3 Exceeding &#8764;3000 S cm-1]]></article-title>
<source><![CDATA[Appl. Phys. Lett.]]></source>
<year>2020</year>
<volume>116</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>022103</page-range></nlm-citation>
</ref>
<ref id="B4">
<label>4</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[ZULUETA]]></surname>
<given-names><![CDATA[Y. A.]]></given-names>
</name>
<name>
<surname><![CDATA[NGUYEN]]></surname>
<given-names><![CDATA[M. T.]]></given-names>
</name>
<name>
<surname><![CDATA[PHAM-HO]]></surname>
<given-names><![CDATA[M. P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Strontium Stannate as an Alternative Anode for Na- and K-Ion Batteries: A Theoretical Study.]]></article-title>
<source><![CDATA[J. Phys. Chem. Solids]]></source>
<year>2022</year>
<numero>162</numero>
<issue>162</issue>
<page-range>110505</page-range></nlm-citation>
</ref>
<ref id="B5">
<label>5</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[ZULUETA]]></surname>
<given-names><![CDATA[Y. A.]]></given-names>
</name>
<name>
<surname><![CDATA[MUT]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[KAYA]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[DAWSON]]></surname>
<given-names><![CDATA[J. A.]]></given-names>
</name>
<name>
<surname><![CDATA[NGUYEN]]></surname>
<given-names><![CDATA[M. T.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Strontium Stannate as an Alternative Anode Material for Li-Ion Batteries.]]></article-title>
<source><![CDATA[J. Phys. Chem. C]]></source>
<year>2021</year>
<volume>125</volume>
<numero>27</numero>
<issue>27</issue>
<page-range>14947-56</page-range></nlm-citation>
</ref>
<ref id="B6">
<label>6</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[LI]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[ZHU]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[FANG]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[WANG]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[GUI]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[BI]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
<name>
<surname><![CDATA[CHEN]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Preparation and Characterization of SrSnO3 Nanorods.]]></article-title>
<source><![CDATA[J. Phys. Chem. Solids]]></source>
<year>2011</year>
<volume>72</volume>
<numero>7</numero>
<issue>7</issue>
<page-range>869-74</page-range></nlm-citation>
</ref>
<ref id="B7">
<label>7</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[HU]]></surname>
<given-names><![CDATA[X.]]></given-names>
</name>
<name>
<surname><![CDATA[TANG]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[XIAO]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[JIANG]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[JIA]]></surname>
<given-names><![CDATA[Z.]]></given-names>
</name>
<name>
<surname><![CDATA[LI]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
<name>
<surname><![CDATA[LI]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
<name>
<surname><![CDATA[LUO]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Rapid Synthesis of Single-Crystalline SrSn(OH)6 Nanowires and the Performance of SrSnO3 Nanorods Used as Anode Materials for Li-Ion Battery.]]></article-title>
<source><![CDATA[J. Phys. Chem. C]]></source>
<year>2010</year>
<volume>114</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>947-52</page-range></nlm-citation>
</ref>
<ref id="B8">
<label>8</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[WHITTINGHAM]]></surname>
<given-names><![CDATA[M. S.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Lithium Batteries and Cathode Materials.]]></article-title>
<source><![CDATA[Chem. Rev.]]></source>
<year>2004</year>
<numero>104</numero>
<issue>104</issue>
<page-range>4271-301</page-range></nlm-citation>
</ref>
<ref id="B9">
<label>9</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[DE FREITAS]]></surname>
<given-names><![CDATA[S. M.]]></given-names>
</name>
<name>
<surname><![CDATA[JÚNIOR]]></surname>
<given-names><![CDATA[G. J. B.]]></given-names>
</name>
<name>
<surname><![CDATA[SANTOS]]></surname>
<given-names><![CDATA[R. D. S.]]></given-names>
</name>
<name>
<surname><![CDATA[REZENDE]]></surname>
<given-names><![CDATA[M. V. DO. S.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Defects and Dopant Properties of SrSnO3 Compound: A Computational Study.]]></article-title>
<source><![CDATA[Comput. Condens. Matter]]></source>
<year>2019</year>
<numero>21</numero>
<issue>21</issue>
</nlm-citation>
</ref>
<ref id="B10">
<label>10</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[DE FREITAS]]></surname>
<given-names><![CDATA[S. M.]]></given-names>
</name>
<name>
<surname><![CDATA[DOS SANTOS]]></surname>
<given-names><![CDATA[P. C. L.]]></given-names>
</name>
<name>
<surname><![CDATA[REZENDE]]></surname>
<given-names><![CDATA[M. V. DO. S.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Investigation of Dopant Incorporation at SrSnO3 Compound.]]></article-title>
<source><![CDATA[J. Solid State Chem.]]></source>
<year>2019</year>
<numero>279</numero>
<issue>279</issue>
<page-range>120928</page-range></nlm-citation>
</ref>
<ref id="B11">
<label>11</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[SHEIN]]></surname>
<given-names><![CDATA[I. R.]]></given-names>
</name>
<name>
<surname><![CDATA[KOZHEVNIKOV]]></surname>
<given-names><![CDATA[V. L.]]></given-names>
</name>
<name>
<surname><![CDATA[IVANOVSKII]]></surname>
<given-names><![CDATA[A. L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[First-Principles Calculations of the Elastic and Electronic Properties of the Cubic Perovskites SrMO3 (M = Ti, V, Zr and Nb) in Comparison with SrSnO3.]]></article-title>
<source><![CDATA[Solid State Sci.]]></source>
<year>2008</year>
<numero>10</numero>
<issue>10</issue>
<page-range>217-25</page-range></nlm-citation>
</ref>
<ref id="B12">
<label>12</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[ZHENG]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[WU]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[SUN]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[RONG]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[NIU]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[LI]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Advanced Anode Materials of Potassium Ion Batteries: From Zero Dimension to Three Dimensions.]]></article-title>
<source><![CDATA[Nano-Micro Letters]]></source>
<year>2021</year>
<volume>13</volume>
<numero>1</numero>
<issue>1</issue>
<page-range>1-39</page-range></nlm-citation>
</ref>
<ref id="B13">
<label>13</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[ZHENG]]></surname>
<given-names><![CDATA[S. M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Alloy Anodes for Sodium-Ion Batteries.]]></article-title>
<source><![CDATA[Rare Met.]]></source>
<year>2021</year>
<volume>40</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>272-89</page-range></nlm-citation>
</ref>
<ref id="B14">
<label>14</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[PAYNE]]></surname>
<given-names><![CDATA[M. C.]]></given-names>
</name>
<name>
<surname><![CDATA[TETER]]></surname>
<given-names><![CDATA[M. P.]]></given-names>
</name>
<name>
<surname><![CDATA[ALLAN]]></surname>
<given-names><![CDATA[D. C.]]></given-names>
</name>
<name>
<surname><![CDATA[ARIAS]]></surname>
<given-names><![CDATA[T. A.]]></given-names>
</name>
<name>
<surname><![CDATA[JOANNOPOULOS]]></surname>
<given-names><![CDATA[J. D.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Iterative Minimization Techniques for Ab initio Total-energy Calculations: Molecular Dynamics and Conjugate Gradients.]]></article-title>
<source><![CDATA[Rev. Mod. Phys.]]></source>
<year>1992</year>
<numero>64</numero>
<issue>64</issue>
<page-range>1045&#8722;1097</page-range></nlm-citation>
</ref>
<ref id="B15">
<label>15</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[PLIMPTON]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Fast Parallel Algorithms for Short-range Molecular Dynamics.]]></article-title>
<source><![CDATA[J. Comput. Phys.]]></source>
<year>1995</year>
<numero>117</numero>
<issue>117</issue>
<page-range>1-19</page-range></nlm-citation>
</ref>
<ref id="B16">
<label>16</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[RAMASAMY]]></surname>
<given-names><![CDATA[H. V.]]></given-names>
</name>
<name>
<surname><![CDATA[SENTHILKUMAR]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
<name>
<surname><![CDATA[BARPANDA]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
<name>
<surname><![CDATA[LEE]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Superior Potassium-Ion Hybrid Capacitor Based on Novel P3-Type Layered.]]></article-title>
<source><![CDATA[Chem. Eng. J.]]></source>
<year>2019</year>
<numero>368</numero>
<issue>368</issue>
<page-range>235-43</page-range></nlm-citation>
</ref>
<ref id="B17">
<label>17</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[WU]]></surname>
<given-names><![CDATA[X.]]></given-names>
</name>
<name>
<surname><![CDATA[KANG]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
<name>
<surname><![CDATA[DUAN]]></surname>
<given-names><![CDATA[W.]]></given-names>
</name>
<name>
<surname><![CDATA[LI]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Density Functional Theory Calculations: A Powerful Tool to Simulate and Design High-Performance Energy Storage and Conversion Materials.]]></article-title>
<source><![CDATA[Prog. Nat. Sci. Mater. Int.]]></source>
<year>2019</year>
<volume>29</volume>
<numero>3</numero>
<issue>3</issue>
<page-range>247-55</page-range></nlm-citation>
</ref>
<ref id="B18">
<label>18</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[JAMES ABRAHAM]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Sodium and Lithium Incorporated Cathode Materials for Energy Storage Applications - A Focused Review.]]></article-title>
<source><![CDATA[J. Power Sources]]></source>
<year>2021</year>
<numero>506</numero>
<issue>506</issue>
<page-range>230098</page-range></nlm-citation>
</ref>
</ref-list>
</back>
</article>
