Adsorption and diffusion of lithium polysulfides over blue phosphorene for Li–S batteries

Mukherjee, Sankha; Kavalsky, Lance; Chattopadhyay, Kinnor; Singh, Chandra Veer

doi:10.1039/c8nr04868a

Cited by 78 publications

(57 citation statements)

References 73 publications

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“…[ 59,95,96 ] This result is expectable because the newly formed in‐gap energy state (form new dangling bonds), localizing around the vacancies, downshifts the conduction band (CB) to the Fermi level and improves the binding force to the Li + /Na + . Similar promotions were also found from other 2D materials such as silicene, and blue and black P. [ 97–99 ] Nevertheless, high‐performance supercapacitors using such ultrathin 2D materials have been rarely demonstrated, due to probably the limited fabrication techniques and other engineering issues.…”

Section: Engineering 2d Materials For Supercapacitor Applicationssupporting

confidence: 61%

Engineering 2D Materials: A Viable Pathway for Improved Electrochemical Energy Storage

Lin

Chen

Liu

et al. 2020

Advanced Energy Materials

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Figure 1. a) The Ragone plots showing specific power against specific energy of traditional supercapacitors and electrochemical batteries. The arrows show the trends toward greater specific power for batteries and specific energy for supercapacitors. The time constant represents the charge/discharge rate. LTO: lithium titanium oxide. Reproduced with permission. [4] Copyright 2020, Springer Nature. b) Carrier mobility of some 2D materials. [41-53] c) A schematic diagram showing graphene nanoribbon with armchair and zigzag edges. The-C-OH and-CH terminated zigzag edges have similar band structure, while the-CH 2 , C=O, and C 2 O terminated zigzag edges are all metallic. d) Comparison of the areal capacitance values between graphene plane, armchair, and zigzag edges, with and without considering the SASA. e) A schematic diagram showing the synthesis route of full zigzag graphene nanoribbon. The U-shaped monomer 1 and the monomer 1a were designed for the synthesis. Reproduced with permission. [60] Copyright 2016, Springer Nature. f,g) High-resolution transmission electron microscopy (HRTEM) images of activated graphene sheets with f) wrinkled surface and g) pentagon-heptagon structure. Reproduced with permission.

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Section: Engineering 2d Materials For Supercapacitor Applicationssupporting

confidence: 61%

Engineering 2D Materials: A Viable Pathway for Improved Electrochemical Energy Storage

Lin

Chen

Liu

et al. 2020

Advanced Energy Materials

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“…2 The effects of doping, [3][4][5] functionalization, [6][7][8][9] and heterostructure formation, [10][11][12][13][14][15] including external stimuli such as strain and electric field, on the electronic and magnetic properties of BlueP are known from first-principles calculations, indicating that it is a promising 2D material. Various investigations have explored the potential in nanoelectronic devices, 16 photodetectors, 17 energy storage, 15,[18][19][20][21] gas sensors, [22][23][24] and superconductors. 25 While BlueP can be grown by molecular beam epitaxy on the Au(111) surface, 26,27 defects are inevitable during synthesis of 2D materials.…”

Section: Introductionmentioning

confidence: 99%

Point Defects in Blue Phosphorene

Sun

Chou

et al. 2019

Chem. Mater.

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Using first-principles calculations, we investigate selected defects in blue phosphorene (BlueP). For a single vacancy (SV) defect a 5-9 structure is energetically favorable and for a double vacancy (DV) defect a 5-8-5 or 555-777 structure. A P adatom favors the top adsorption site. Scanning tunneling microscopy images are simulated to aid the experimental identification of the defects. Formation of a Stone-Wales defect is found to be most likely, but can be reverted by thermal annealing. Calculated migration and transformation barriers show that a SV defect can migrate easily. Both a SV defect and a P adatom induce a magnetic moment, thus turning BlueP into a magnetic semiconductor. It turns out that all the defects under investigation enhance the ability of BlueP to absorb sunlight.

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“…[ 80 ] Copyright 2017, Elsevier. h) Plots of the calculated binding energies between LiPSs and various MXenes, graphene, [ 82 ] borophene, [ 83 ] blue P, [ 84 ] and 1,3‐dioxolane (DOL), 1,2‐dimethoxyethane (DME) electrolytes. i) The binding energies between the MXenes and Li 2 S 8 and Li 2 S 4 species, as a function of the lattice constants of MXenes.…”

Section: Applications In Electrochemical Energy Storagementioning

confidence: 99%

MXenes for Rechargeable Batteries Beyond the Lithium‐Ion

et al. 2020

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past few decades. [2] In spite of the great success of the LIBs in consumer electronics and electric vehicles, their gridscale implementation is hindered by the limited lithium resources (only 20 ppm in the earth's crust) as well as the safety concerns. [3] In this regard, many other EES systems based on more abundant and less active elements, such as sodium (2.3%), potassium (2.1%), magnesium (2.3%), aluminum (8.2%), and zinc (75 ppm), have been developed and have already achieved significant progress. [1d,4] Historically, 2D layered materials have been employed as electrodes for batteries (e.g., graphite, [5] LiCoO 2 , [6] and TiS 2 [7]). Since the discovery of monolayer graphene in 2004, [8] more and more emerging 2D materials have quickly become popular electrode materials for various EES devices. This is not surprising given the unique structure and property of 2D materials. Their relatively large interlayer space allows fast ion (de)intercalation, whereas the highly anisotropic 2D structure enables fast charge transfer. Recently, a new class of 2D transition metal carbides, nitrides, and carbonitrides, known as MXenes, [9] was discovered and has attracted increasing research interest. Up to date, more than 30 MXenes have been successfully synthesized. [10] Similar to other 2D layered materials, MXenes also possess large/tunable interlayer spaces and high aspect ratios. In addition, MXenes show excellent hydrophilicity (contact angle is ≈21.5°-35°) [11] and extraordinary conductivity (e.g., ≈9880 S cm −1 for Ti 3 C 2 T x , 3250 ± 100 S cm −1 for V 2 CT x). [12] Further, MXenes are coupled with various terminations (e.g., OH, O, and F), which endow rich surface chemistries. These unique properties make them appealing in various applications, especially for energy storage devices such as batteries and supercapacitors. [1d,4i,13] We noted that there have already been several excellent reviews on the application of MXenes for energy storage and conversion, which cover a wide range of topics including for LIBs, supercapacitors, electrocatalysis, photocatalysis, electromagnetic interference, and so on. [10a,14] However, a more specific summary focuses on the rechargeable batteries is required and beneficial for the researchers working on nextgeneration batteries. Moreover, the study and investigation on MXenes for other EES systems beyond LIB are rapidly developing and have achieved great progress very recently. For example, great research efforts have been invested in exploring the application of MXenes in Li-sulfur batteries Research on next-generation battery technologies (beyond Li-ion batteries, or LIBs) has been accelerating over the past few years. A key challenge for these emerging batteries has been the lack of suitable electrode materials, which severely limits their further developments. MXenes, a new class of 2D transition metal carbides, carbonitrides, and nitrides, are proposed as electrode materials for these emerging batteries due to several desirable attributes. These attributes include large a...

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Adsorption and diffusion of lithium polysulfides over blue phosphorene for Li–S batteries

Abstract: Defect engineering of blue phosphorene in lithium–sulphur (Li–S) batteries allows for greater specific capacities and faster rate-capabilities.

Cited by 78 publications

References 73 publications

Engineering 2D Materials: A Viable Pathway for Improved Electrochemical Energy Storage

Engineering 2D Materials: A Viable Pathway for Improved Electrochemical Energy Storage

Point Defects in Blue Phosphorene

MXenes for Rechargeable Batteries Beyond the Lithium‐Ion

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