Disclosing the superior lithium storage of double-shelled Si@N-doped carbon: a synergic combination of experiment and theory. Issue 4 (27th January 2023)

• Record Type: Journal Article
• Authors: Majeed, Muhammad K.; Iqbal, Rashid; Hussain, Arshad; Lotfi, Mina; Majeed, M. Umar; Ashfaq, M. Zeeshan; Javed, M. Sufyan; Ahmad, Muhammad; Saleem, Adil
• Is Part Of: Sustainable energy & fuels. Volume 7:Issue 4(2023)
• Page Start: 1084
• Page End: 1092
• Publication Date: 2023-01-27
• Subjects: Renewable energy sources -- Periodicals; Fuel cells -- Periodicals; Electric batteries -- Periodicals; Electrochemistry -- Periodicals; 660.297
• DOI: 10.1039/d2se01571d
• Languages: English
• ISSNs: 2398-4902

Abstract

Abstract : Si@DNC having dual stabilized architecture with a mesoporous structure is synthesized which consists of interconnected channels presenting exceptional Li storage. The relation between experimental investigation and theoretical approach is clarified. Abstract : Through collective use of experimental investigation and theoretical approaches, i.e., X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, microscopic properties and density functional theory (DFT) calculations, we comprehensively characterize the structural, morphological, and lithium (Li) storage performance of double-shelled silicon@ZIF-8@ZIF-67 (Si@DNC). The unique architectures not only absorb the huge volume variation stress of Si during cycling but also provide enhanced electrical conductivity and manipulate the stability and integrity of a well-wrapped double-shelled framework. Additionally, N-doped carbon can also enhance the conductivity of electrodes. The superior Li storage performance in double-shelled structures is refined via an interactive lithiation/delithiation approach and validated using DFT calculations. Typically, the as-prepared Si@DNC delivered enhanced cycling stability with a high discharge capacity of 2537.8 mA h g −1 in the first cycle and 1285 mA h g −1 after 200 cycles at 200 mA g −1 . Therefore, the double-shelled structure reflected outstanding electrochemical performance and is expected to be a forthcoming candidate for anode materials in next-generation lithium-ion batteries (LIBs).