<p>In this work, a supercapacitor device with a graphene/hexagonal boron nitride (hBN) electrode and KCl electrolyte was simulated to investigate its electrochemical performance. Key parameters such as potential and current of the cell, ion concentration (<InlineEquation ID="IEq1"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10825_2025_2363_Article_IEq1.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="23" /> </InlineMediaObject> <EquationSource Format="TEX">\(\hbox {K}^+\)</EquationSource> <EquationSource Format="MATHML"><math> <msup> <mtext>K</mtext> <mo>+</mo> </msup> </math></EquationSource> </InlineEquation> and <InlineEquation ID="IEq2"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10825_2025_2363_Article_IEq2.gif" Format="GIF" Height="17" Rendition="HTML" Resolution="72" Type="Linedraw" Width="29" /> </InlineMediaObject> <EquationSource Format="TEX">\(\hbox {Cl}^-\)</EquationSource> <EquationSource Format="MATHML"><math> <msup> <mtext>Cl</mtext> <mo>-</mo> </msup> </math></EquationSource> </InlineEquation>), electrode and electrolyte potential, and total current density at the interface were analyzed over time. The electrode current density as a function of electrode potential was also studied. The results demonstrated a maximum specific capacitance of 624.72 F/g at a current density of <InlineEquation ID="IEq3"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10825_2025_2363_Article_IEq3.gif" Format="GIF" Height="22" Rendition="HTML" Resolution="72" Type="Linedraw" Width="97" /> </InlineMediaObject> <EquationSource Format="TEX">\(-\hbox {1.08 A/cm}^2\)</EquationSource> <EquationSource Format="MATHML"><math> <mrow> <mo>-</mo> <mtext>1.08</mtext> <mspace width="0.333333em" /> <msup> <mtext>A/cm</mtext> <mn>2</mn> </msup> </mrow> </math></EquationSource> </InlineEquation> and a potential of 0.116 V, confirming the system’s behavior within the supercapacitor range. Additionally, the maximum power dissipation density was 54.13 <InlineEquation ID="IEq4"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10825_2025_2363_Article_IEq4.gif" Format="GIF" Height="22" Rendition="HTML" Resolution="72" Type="Linedraw" Width="53" /> </InlineMediaObject> <EquationSource Format="TEX">\(\hbox {W/cm}^3\)</EquationSource> <EquationSource Format="MATHML"><math> <msup> <mtext>W/cm</mtext> <mn>3</mn> </msup> </math></EquationSource> </InlineEquation> at a current density of −0.61 <InlineEquation ID="IEq6"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10825_2025_2363_Article_IEq6.gif" Format="GIF" Height="13" Rendition="HTML" Resolution="72" Type="Linedraw" Width="19" /> </InlineMediaObject> <EquationSource Format="TEX">\(\times\)</EquationSource> <EquationSource Format="MATHML"><math> <mo>×</mo> </math></EquationSource> </InlineEquation> <InlineEquation ID="IEq7"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10825_2025_2363_Article_IEq7.gif" Format="GIF" Height="17" Rendition="HTML" Resolution="72" Type="Linedraw" Width="33" /> </InlineMediaObject> <EquationSource Format="TEX">\(\hbox {10}^{-4}\)</EquationSource> <EquationSource Format="MATHML"><math> <msup> <mtext>10</mtext> <mrow> <mo>-</mo> <mn>4</mn> </mrow> </msup> </math></EquationSource> </InlineEquation> <InlineEquation ID="IEq8"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10825_2025_2363_Article_IEq8.gif" Format="GIF" Height="22" Rendition="HTML" Resolution="72" Type="Linedraw" Width="48" /> </InlineMediaObject> <EquationSource Format="TEX">\(\hbox {A/cm}^2\)</EquationSource> <EquationSource Format="MATHML"><math> <msup> <mtext>A/cm</mtext> <mn>2</mn> </msup> </math></EquationSource> </InlineEquation>. These findings highlight the potential of KCl as an effective electrolyte in graphene/hBN-based supercapacitors, paving the way for enhanced energy storage technologies.</p>

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Simulation of a supercapciator device and its properties based on graphene/hBN electrode material and KCl as an electrolyte

  • Fatemeh Shirvani,
  • Mohammad Reza Jafari,
  • Aliasghar Shokri

摘要

In this work, a supercapacitor device with a graphene/hexagonal boron nitride (hBN) electrode and KCl electrolyte was simulated to investigate its electrochemical performance. Key parameters such as potential and current of the cell, ion concentration ( \(\hbox {K}^+\) K + and \(\hbox {Cl}^-\) Cl - ), electrode and electrolyte potential, and total current density at the interface were analyzed over time. The electrode current density as a function of electrode potential was also studied. The results demonstrated a maximum specific capacitance of 624.72 F/g at a current density of \(-\hbox {1.08 A/cm}^2\) - 1.08 A/cm 2 and a potential of 0.116 V, confirming the system’s behavior within the supercapacitor range. Additionally, the maximum power dissipation density was 54.13 \(\hbox {W/cm}^3\) W/cm 3 at a current density of −0.61 \(\times\) × \(\hbox {10}^{-4}\) 10 - 4 \(\hbox {A/cm}^2\) A/cm 2 . These findings highlight the potential of KCl as an effective electrolyte in graphene/hBN-based supercapacitors, paving the way for enhanced energy storage technologies.