Correction to “First-Principles Quantum Analysis of Promising Double Perovskites Z2SiF6 (Z = K, Li, Na, Rb) as Prospective Light Harvesting Materials: Optoelectronic, Structural and Thermodynamic Properties”

IF 2.3 3区 化学 Q3 CHEMISTRY, PHYSICAL International Journal of Quantum Chemistry Pub Date : 2024-12-22 DOI:10.1002/qua.27519
{"title":"Correction to “First-Principles Quantum Analysis of Promising Double Perovskites Z2SiF6 (Z = K, Li, Na, Rb) as Prospective Light Harvesting Materials: Optoelectronic, Structural and Thermodynamic Properties”","authors":"","doi":"10.1002/qua.27519","DOIUrl":null,"url":null,"abstract":"<p>K. Fatima, Z. Abbas, F. Butt, et al., “First-Principles Quantum Analysis of Promising Double Perovskites Z<sub>2</sub>SiF<sub>6</sub> (Z = K, Li, Na, Rb) as Prospective Light Harvesting Materials: Optoelectronic, Structural and Thermodynamic Properties,” <i>International Journal of Quantum Chemistry</i> 123, no. 18 (2023): e27179, https://doi.org/10.1002/qua.27179.</p><p>Previously, we added the approximate values of the threshold energies in the manuscript. However, now we have added different values for all threshold energies and also added insets in the figures to show difference between the curves of various compounds. Accordingly in this Correction we have reported the corrected versions of Figure 8, Table 5, and Figure 9.</p><p></p><p><b>FIGURE 9</b> | (a) Reflectivity <span></span><math>\n <semantics>\n <mrow>\n <mi>R</mi>\n <mrow>\n <mo>(</mo>\n <mi>ω</mi>\n <mo>)</mo>\n </mrow>\n </mrow>\n <annotation>$$ R\\left(\\omega \\right) $$</annotation>\n </semantics></math>, (b) energy loss function <span></span><math>\n <semantics>\n <mrow>\n <msub>\n <mi>E</mi>\n <mtext>loss</mtext>\n </msub>\n <mrow>\n <mo>(</mo>\n <mi>ω</mi>\n <mo>)</mo>\n </mrow>\n </mrow>\n <annotation>$$ {E}_{\\mathrm{loss}}\\left(\\omega \\right) $$</annotation>\n </semantics></math>, (c) real conductivity <span></span><math>\n <semantics>\n <mrow>\n <mi>σ</mi>\n <mrow>\n <mo>(</mo>\n <mi>ω</mi>\n <mo>)</mo>\n </mrow>\n </mrow>\n <annotation>$$ \\sigma \\left(\\omega \\right) $$</annotation>\n </semantics></math> and (d) absorption coefficient <span></span><math>\n <semantics>\n <mrow>\n <mi>I</mi>\n <mrow>\n <mo>(</mo>\n <mi>ω</mi>\n <mo>)</mo>\n </mrow>\n </mrow>\n <annotation>$$ I\\left(\\omega \\right) $$</annotation>\n </semantics></math> and for Z<sub>2</sub>SiF<sub>6</sub> (Z = K, Li, Na, Rb).</p><p><b>TABLE 5</b> | Calculated threshold values (eV) of optical parameters (<span></span><math>\n <semantics>\n <mrow>\n <msub>\n <mi>ε</mi>\n <mn>2</mn>\n </msub>\n <mrow>\n <mo>(</mo>\n <mi>ω</mi>\n <mo>)</mo>\n </mrow>\n </mrow>\n <annotation>$$ {\\varepsilon}_2\\left(\\omega \\right) $$</annotation>\n </semantics></math>, <span></span><math>\n <semantics>\n <mrow>\n <mi>K</mi>\n <mrow>\n <mo>(</mo>\n <mi>ω</mi>\n <mo>)</mo>\n </mrow>\n </mrow>\n <annotation>$$ K\\left(\\omega \\right) $$</annotation>\n </semantics></math>, <span></span><math>\n <semantics>\n <mrow>\n <mi>I</mi>\n <mrow>\n <mo>(</mo>\n <mi>ω</mi>\n <mo>)</mo>\n </mrow>\n </mrow>\n <annotation>$$ I\\left(\\omega \\right) $$</annotation>\n </semantics></math> <span></span><math>\n <semantics>\n <mrow>\n <mi>L</mi>\n <mrow>\n <mo>(</mo>\n <mi>ω</mi>\n <mo>)</mo>\n </mrow>\n </mrow>\n <annotation>$$ L\\left(\\omega \\right) $$</annotation>\n </semantics></math>, and real <span></span><math>\n <semantics>\n <mrow>\n <mi>σ</mi>\n <mrow>\n <mo>(</mo>\n <mi>ω</mi>\n <mo>)</mo>\n </mrow>\n </mrow>\n <annotation>$$ \\sigma \\left(\\omega \\right) $$</annotation>\n </semantics></math>) for Z<sub>2</sub>SiF<sub>6</sub> (Z = K, Li, Na, Rb).\n\n </p><p>We apologize for this error.</p>","PeriodicalId":182,"journal":{"name":"International Journal of Quantum Chemistry","volume":"125 1","pages":""},"PeriodicalIF":2.3000,"publicationDate":"2024-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/qua.27519","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Quantum Chemistry","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/qua.27519","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
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Abstract

K. Fatima, Z. Abbas, F. Butt, et al., “First-Principles Quantum Analysis of Promising Double Perovskites Z2SiF6 (Z = K, Li, Na, Rb) as Prospective Light Harvesting Materials: Optoelectronic, Structural and Thermodynamic Properties,” International Journal of Quantum Chemistry 123, no. 18 (2023): e27179, https://doi.org/10.1002/qua.27179.

Previously, we added the approximate values of the threshold energies in the manuscript. However, now we have added different values for all threshold energies and also added insets in the figures to show difference between the curves of various compounds. Accordingly in this Correction we have reported the corrected versions of Figure 8, Table 5, and Figure 9.

FIGURE 9 | (a) Reflectivity R ( ω ) $$ R\left(\omega \right) $$ , (b) energy loss function E loss ( ω ) $$ {E}_{\mathrm{loss}}\left(\omega \right) $$ , (c) real conductivity σ ( ω ) $$ \sigma \left(\omega \right) $$ and (d) absorption coefficient I ( ω ) $$ I\left(\omega \right) $$ and for Z2SiF6 (Z = K, Li, Na, Rb).

TABLE 5 | Calculated threshold values (eV) of optical parameters ( ε 2 ( ω ) $$ {\varepsilon}_2\left(\omega \right) $$ , K ( ω ) $$ K\left(\omega \right) $$ , I ( ω ) $$ I\left(\omega \right) $$ L ( ω ) $$ L\left(\omega \right) $$ , and real σ ( ω ) $$ \sigma \left(\omega \right) $$ ) for Z2SiF6 (Z = K, Li, Na, Rb).

We apologize for this error.

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来源期刊
International Journal of Quantum Chemistry
International Journal of Quantum Chemistry 化学-数学跨学科应用
CiteScore
4.70
自引率
4.50%
发文量
185
审稿时长
2 months
期刊介绍: Since its first formulation quantum chemistry has provided the conceptual and terminological framework necessary to understand atoms, molecules and the condensed matter. Over the past decades synergistic advances in the methodological developments, software and hardware have transformed quantum chemistry in a truly interdisciplinary science that has expanded beyond its traditional core of molecular sciences to fields as diverse as chemistry and catalysis, biophysics, nanotechnology and material science.
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