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      Quantum hybridization negative differential resistance from non-toxic halide perovskite nanowire heterojunctions and its strain control

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      https://www.riss.kr/link?id=A108589434

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      다국어 초록 (Multilingual Abstract)

      While low-dimensional organometal halide perovskites are expected to open up new opportunities for a diverse range of device applications, like in their bulk counterparts, the toxicity of Pb-based halide perovskite materials is a significant concern that hinders their practical use. We recently predicted that lead triiodide ­(PbI 3 ) columns derived from trimethylsulfonium (TMS) lead triiodide ­(CH 3 ) 3 SPbI 3 (TMSPbI 3 ) by stripping off TMS ligands should be semime‑ tallic, and additionally ultrahigh negative differential resistance (NDR) can arise from the heterojunction composed of a ­TMSPbI 3 channel sandwiched by ­PbI 3 electrodes. Herein, we computationally explore whether similar material and device characteristics can be obtained from other one-dimensional halide perovskites based on non-Pb metal elements, and in doing so deepen the understanding of their mechanistic origins. First, scanning through several candidate metal halide inorganic frameworks as well as their parental form halide perovskites, we find that the germanium triiodide ­(GeI 3 ) column also assumes a semimetallic character by avoiding the Peierls distortion. Next, adopting the bundled nanowire ­GeI 3 -TMSGeI 3 -GeI 3 junction configuration, we obtain a drastically high peak current density and ultrahigh NDR at room temperature. Furthermore, the robustness and controllability of NDR signals from GeI 3 -TMSGeI 3 -GeI 3 devices under strain are revealed, establishing its potential for flexible electronics applications. It will be emphasized that, despite the performance metrics notably enhanced over those from the ­TMSPbI 3 case, these device characteristics still arise from the identical quantum hybridization NDR mechanism.
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      While low-dimensional organometal halide perovskites are expected to open up new opportunities for a diverse range of device applications, like in their bulk counterparts, the toxicity of Pb-based halide perovskite materials is a significant concern t...

      While low-dimensional organometal halide perovskites are expected to open up new opportunities for a diverse range of device applications, like in their bulk counterparts, the toxicity of Pb-based halide perovskite materials is a significant concern that hinders their practical use. We recently predicted that lead triiodide ­(PbI 3 ) columns derived from trimethylsulfonium (TMS) lead triiodide ­(CH 3 ) 3 SPbI 3 (TMSPbI 3 ) by stripping off TMS ligands should be semime‑ tallic, and additionally ultrahigh negative differential resistance (NDR) can arise from the heterojunction composed of a ­TMSPbI 3 channel sandwiched by ­PbI 3 electrodes. Herein, we computationally explore whether similar material and device characteristics can be obtained from other one-dimensional halide perovskites based on non-Pb metal elements, and in doing so deepen the understanding of their mechanistic origins. First, scanning through several candidate metal halide inorganic frameworks as well as their parental form halide perovskites, we find that the germanium triiodide ­(GeI 3 ) column also assumes a semimetallic character by avoiding the Peierls distortion. Next, adopting the bundled nanowire ­GeI 3 -TMSGeI 3 -GeI 3 junction configuration, we obtain a drastically high peak current density and ultrahigh NDR at room temperature. Furthermore, the robustness and controllability of NDR signals from GeI 3 -TMSGeI 3 -GeI 3 devices under strain are revealed, establishing its potential for flexible electronics applications. It will be emphasized that, despite the performance metrics notably enhanced over those from the ­TMSPbI 3 case, these device characteristics still arise from the identical quantum hybridization NDR mechanism.

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      참고문헌 (Reference)

      1 W. -J. Yin, 3 : 8926-, 2015

      2 B. -K. Kim, 5 : 9-, 2021

      3 Q. A. Akkerman, 17 : 394-, 2018

      4 H. J. Snaith, 17 : 372-, 2018

      5 A. K. Jena, 119 : 3036-, 2019

      6 M. E. Khan, 29 : 1807620-, 2019

      7 A. Nourbakhsh, 16 : 1359-, 2016

      8 J. Shim, 7 : 13413-, 2016

      9 H. Son, 581 : 152396-, 2022

      10 F. Giustino, 1 : 1233-, 2016

      1 W. -J. Yin, 3 : 8926-, 2015

      2 B. -K. Kim, 5 : 9-, 2021

      3 Q. A. Akkerman, 17 : 394-, 2018

      4 H. J. Snaith, 17 : 372-, 2018

      5 A. K. Jena, 119 : 3036-, 2019

      6 M. E. Khan, 29 : 1807620-, 2019

      7 A. Nourbakhsh, 16 : 1359-, 2016

      8 J. Shim, 7 : 13413-, 2016

      9 H. Son, 581 : 152396-, 2022

      10 F. Giustino, 1 : 1233-, 2016

      11 A. M. Ganose, 53 : 20-, 2016

      12 S. Chakraborty, 2 : 837-, 2017

      13 Z. Xiao, 31 : e1803792-, 2019

      14 T. H. Kim, 8 : 50-, 2022

      15 G. Kresse, 59 : 1758-, 1999

      16 J. P. Perdew, 100 : 136406-, 2008

      17 J. M. Soler, 14 : 2745-, 2002

      18 M. Brandbyge, 65 : 165401-, 2002

      19 M. V. Kovalenko, 358 : 745-, 2017

      20 Y. -H. Kim, 94 : 156801-, 2005

      21 J. Lee, 7 : 2001038-, 2020

      22 J. Lee, 117 : 10142-, 2020

      23 A. Kaltzoglou, 56 : 6302-, 2017

      24 A. Kaltzoglou, 140 : 67-, 2018

      25 J. Heyd, 124 : 219906-, 2006

      26 E. W. Elliott, 9 : 3050-, 2015

      27 Y. -H. Kim, 100 : 213113-, 2012

      28 S. Datta, "Electronic Transport in Mesoscopic Systems" Cambridge University Press 1995

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