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Title: Sequence‐Defined Peptoids with OH and COOH Groups As Binders to Reduce Cracks of Si Nanoparticles of Lithium‐Ion Batteries

Abstract

Silicone (Si) is one type of anode materials with intriguingly high theoretical capacity. However, the severe volume change associated with the repeated lithiation and delithiation processes hampers the mechanical/electrical integrity of Si anodes and hence reduces the battery’s cycle-life. To address this issue, we design and fabricate the sequence-defined peptoids with two tailored functional groups, “–OH” and “–COOH”, as cross-linkable polymeric binders for Si anodes of LIBs. Experiment results show that both the capacity and stability of such peptoids-bound Si anodes can be significantly improved due to the decreased cracks of Si nanoparticles. Particularly, the 15-mer peptoid binder in Si anode can result in a much higher reversible capacity (ca. 3110 mAh g-1) after 500 cycles at 1.0 A g-1 compared to other reported binders in literature. According to the density functional theory (DFT) calculations, it is the functional groups presented on the side chains of peptoids that facilitate the formation of Si-O binding efficiency and robustness, and then maintain the integrity of the Si anode. The sequence-designed polymers can act as a new platform for understanding the interactions between binders and Si anode materials, and promote the realization of high-performance batteries.

Authors:
 [1];  [2];  [3];  [4];  [4];  [5];  [6];  [7];  [7];  [3];  [5];  [8]; ORCiD logo [9]
  1. School of Materials Science and Engineering Dongguan University of Technology Dongguan Guangdong 523808 China, Physical Sciences Division Pacific Northwest National Laboratory Richland WA 99352 USA
  2. Institutes of Physical Science and Information Technology Anhui University JiuLong Rd Hefei Anhui 230601 China, Key Laboratory of Structure and Functional Regulation of Hybrid Material (Ministry of Education) Anhui University Hefei Anhui 230601 P. R. China
  3. Department of Physics Jiangxi Normal University Nanchang Jiangxi 330022 China
  4. School of Materials Science and Engineering Dongguan University of Technology Dongguan Guangdong 523808 China
  5. Physical Sciences Division Pacific Northwest National Laboratory Richland WA 99352 USA
  6. Energy and Environmental Directorate Pacific Northwest National Laboratory Richland WA 99352 USA
  7. Department of NanoEngineering University of California San Diego La Jolla CA 92093 USA
  8. Physical Sciences Division Pacific Northwest National Laboratory Richland WA 99352 USA, Department of Chemical Engineering University of Washington Seattle WA 98195 USA
  9. Institute for Sustainable Energy/College of Sciences Shanghai University Shanghai 200444 China
Publication Date:
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Natural Science Foundation of China (NSFC); Startup Research Fund of Dongguan University of Technology; Natural Science Foundation of Guangdong Province
OSTI Identifier:
1645137
Alternate Identifier(s):
OSTI ID: 1645138; OSTI ID: 1668741
Report Number(s):
PNNL-SA-153025
Journal ID: ISSN 2198-3844; 2000749
Grant/Contract Number:  
AC05-76RL01830; SC0019288; 51772051; 51872071; 21805034; 51962010; 2016A030310127; 2017A030310645; KCYKYQD2017015; TDYB2019007; 196100043028
Resource Type:
Published Article
Journal Name:
Advanced Science
Additional Journal Information:
Journal Name: Advanced Science Journal Volume: 7 Journal Issue: 18; Journal ID: ISSN 2198-3844
Publisher:
Wiley
Country of Publication:
Germany
Language:
English
Subject:
25 ENERGY STORAGE; Si anodes, peptoids, polymeric binders, lithium-ion batteries; capacity; lithium-ion batteries; peptoids; polymeric binders; Si anodes

Citation Formats

Zhang, Qianyu, Zhang, Chaofeng, Luo, Wenwei, Cui, Lifeng, Wang, Yan‐Jie, Jian, Tengyue, Li, Xiaolin, Yan, Qizhang, Liu, Haodong, Ouyang, Chuying, Chen, Yulin, Chen, Chun‐Long, and Zhang, Jiujun. Sequence‐Defined Peptoids with OH and COOH Groups As Binders to Reduce Cracks of Si Nanoparticles of Lithium‐Ion Batteries. Germany: N. p., 2020. Web. doi:10.1002/advs.202000749.
Zhang, Qianyu, Zhang, Chaofeng, Luo, Wenwei, Cui, Lifeng, Wang, Yan‐Jie, Jian, Tengyue, Li, Xiaolin, Yan, Qizhang, Liu, Haodong, Ouyang, Chuying, Chen, Yulin, Chen, Chun‐Long, & Zhang, Jiujun. Sequence‐Defined Peptoids with OH and COOH Groups As Binders to Reduce Cracks of Si Nanoparticles of Lithium‐Ion Batteries. Germany. https://doi.org/10.1002/advs.202000749
Zhang, Qianyu, Zhang, Chaofeng, Luo, Wenwei, Cui, Lifeng, Wang, Yan‐Jie, Jian, Tengyue, Li, Xiaolin, Yan, Qizhang, Liu, Haodong, Ouyang, Chuying, Chen, Yulin, Chen, Chun‐Long, and Zhang, Jiujun. Wed . "Sequence‐Defined Peptoids with OH and COOH Groups As Binders to Reduce Cracks of Si Nanoparticles of Lithium‐Ion Batteries". Germany. https://doi.org/10.1002/advs.202000749.
@article{osti_1645137,
title = {Sequence‐Defined Peptoids with OH and COOH Groups As Binders to Reduce Cracks of Si Nanoparticles of Lithium‐Ion Batteries},
author = {Zhang, Qianyu and Zhang, Chaofeng and Luo, Wenwei and Cui, Lifeng and Wang, Yan‐Jie and Jian, Tengyue and Li, Xiaolin and Yan, Qizhang and Liu, Haodong and Ouyang, Chuying and Chen, Yulin and Chen, Chun‐Long and Zhang, Jiujun},
abstractNote = {Silicone (Si) is one type of anode materials with intriguingly high theoretical capacity. However, the severe volume change associated with the repeated lithiation and delithiation processes hampers the mechanical/electrical integrity of Si anodes and hence reduces the battery’s cycle-life. To address this issue, we design and fabricate the sequence-defined peptoids with two tailored functional groups, “–OH” and “–COOH”, as cross-linkable polymeric binders for Si anodes of LIBs. Experiment results show that both the capacity and stability of such peptoids-bound Si anodes can be significantly improved due to the decreased cracks of Si nanoparticles. Particularly, the 15-mer peptoid binder in Si anode can result in a much higher reversible capacity (ca. 3110 mAh g-1) after 500 cycles at 1.0 A g-1 compared to other reported binders in literature. According to the density functional theory (DFT) calculations, it is the functional groups presented on the side chains of peptoids that facilitate the formation of Si-O binding efficiency and robustness, and then maintain the integrity of the Si anode. The sequence-designed polymers can act as a new platform for understanding the interactions between binders and Si anode materials, and promote the realization of high-performance batteries.},
doi = {10.1002/advs.202000749},
journal = {Advanced Science},
number = 18,
volume = 7,
place = {Germany},
year = {Wed Aug 05 00:00:00 EDT 2020},
month = {Wed Aug 05 00:00:00 EDT 2020}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1002/advs.202000749

Citation Metrics:
Cited by: 43 works
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Figures / Tables:

Figure 1 Figure 1: Adsorption configurations of the three molecules on Si-(111) surface. a,b) Molecule-1 with one O atom from the –OCNCCO– group bonded to Si atom, c) physical adsorption of Molecule-1, d,e) Molecule-2 with one and two O atoms from –COOH group bonded with Si atom, and f) Molecule-3 with onemore » O atom from –COOH group bonded with Si atom. The yellow, red, gray, blue, and white spheres are Si, O, C, N, and H atoms, respectively. The C–N–C–C–O penta-ring is highlighted with a transparent blue cycle.« less

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Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.