Zonglin Yi

Institute of Coal Chemistry

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Cheng‐Meng Chen

Institute of Coal Chemistry

Fangyuan Su

Institute of Coal Chemistry

Lijing Xie

Institute of Coal Chemistry

Jingpeng Chen

Hainan University

Guohua Sun

Beijing University of Chemical Technology

Zhenbing Wang

Institute of Coal Chemistry

Yafeng Fan

Institute of Coal Chemistry

Zhefan Wang

Thermal Power Research Institute

Peide Han

Taiyuan University of Technology

Qingqiang Kong

Institute of Coal Chemistry

Cooperative Institutions

Chinese Academy of Sciences

135

University of Chinese Academy of Sciences

Institute of Coal Chemistry

Taiyuan University of Technology

Dalian Institute of Chemical Physics

Tsinghua University

University of Science and Technology of China

Dalian National Laboratory for Clean Energy

Tianjin University

China University of Mining and Technology

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Uncovering electrocatalytic conversion mechanisms from Li2S2 to Li2S: Generalization of computational hydrogen electrode

Energy storage materials (2022)

Zonglin Yi Fangyuan Su Liqin Dai Zhenbing Wang Lijing Xie

Standard hydrogen electrode

Reversible hydrogen electrode

10.1016/j.ensm.2022.02.002

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Citations (44)

Internal Pressure Regulation Enables Reliable Electrochemical Performance Evaluation of Lithium-Ion Full Coin Cell

Hao Wang Ya-Lu Han Fangyuan Su Zonglin Yi Lijing Xie

Graphite-based full coin cells provide a more resource-efficient way to evaluate the electrochemical performance of materials compared to commercial lithium-ion batteries (LIB). However, in graphite-based coin cells, the inevitable internal pressure will affect the accurate evaluation of material electrochemical performance by inducing degradation of the active particles, altering the electrode pore distribution, and hindering ion transport, etc. This study uses an in-house tool to regulate and detect the internal pressure of coin cells, to minimize the negative impact of internal pressure on performance evaluation. Optimization of the internal pressure in the coin cells greatly improves materials-evaluation reliability in the capacity consistency, rate performance, and cycling stability. Under optimal internal pressure of 77 kPa the testing high-capacity electrodes achieve an excellent capacity consistency standard deviation of 0.66 mA·h·g-1 and a high capacity retention rate of 93.3% at 0.5 C. Kinetics and thermodynamics analyses show that the loss of active lithium and polarization can be suppressed at optimal internal pressures, resulting in optimal electrochemical performance. The findings will provide general guidelines for the design and preparation of full coin cells for reliable evaluation in LIB.

10.2139/ssrn.4675908

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Preparation of Enriched Closed-Pores Hard Carbon for High-Performance Sodium-Ion Batteries by the Poly(vinyl butyral) Template Method

ACS Applied Energy Materials (2024)

Minggang Cheng Lijing Xie Zonglin Yi Yi-Xuan Mao Fangyuan Su

Closed pores play an essential role in improving the performance of sodium-ion batteries. Various strategies have been proposed to increase the closed-pore ratio, but most of them face challenges related to cost and waste disposal. Here, we chose furfural as the resin precursor to synthesize the raw material and prepare enriched closed-pore hard carbon using poly(vinyl butyral) (PVB) as the in situ pore-forming agent. At 450 °C, the decomposition of PVB within furfural resins leads to the formation of numerous micropores, which sets the stage for the creation of hard carbon with closed pores. The optimal hard carbon sample exhibits a low specific surface area (N2) of 10.54 m2 g–1 and a high volume of closed pores (0.090 cm3 g–1). The optimal pore structure of the hard carbon resulted in a high reversible sodium storage capacity of 367 mAh g–1 and an initial Coulombic efficiency (ICE) of 88.5% at 30 mA g–1. Furthermore, the use of PVB as a pore-forming agent is minimal and the decomposition products are environmentally friendly. This is a practical guide for producing high-performance hard carbon.

Carbon fibers

10.1021/acsaem.4c00331

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Citations (10)

Uncovering Electrocatalytic Conversion Mechanisms from Li 2S 2 to Li 2S: Generalization of Computational Hydrogen Electrode

SSRN Electronic Journal (2021)

Zonglin Yi Fangyuan Su Liqin Dai Zhenbing Wang Lijing Xie

Lithium–sulfur (Li–S) batteries have been strongly considered as promising next-generation batteries due to their significant advantages on theoretical energy density. However, the practical application of Li–S batteries are seriously impeded by the sluggish conversion reaction from Li2S2 to Li2S. The solution of this problem relies on comprehensive understanding of Li2S2 conversion mechanisms. Herein, a theoretical model is established by generalizing the computational hydrogen electrode (CHE) approach. More specifically, Li2S2 conversion is redefined in elementary steps that includes the anticipation of each electron. Associative and dissociative reaction mechanisms with electrocatalysts are proposed and inspected by the free energy criterion. Single atom catalysts containing Fe, Co, Ni, and V are discussed separately. The effects of applied electrode potential are accurately described by the generalized CHE approach. It is predicted that associative reaction mechanism can provide the highest electrode potential with the existence of Fe single atom catalysts. Analysis on electronic structures further confirms the electrocatalysis activity originates from the chemical bonds between S and transition metal atoms. This work unveils the Li2S2 conversion mechanisms in elementary steps. More importantly, the generalized CHE approach opens a new frontier of exploration on redox reactions in Li–S battery and hopefully other energy storage systems.

10.2139/ssrn.3971637

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The Inhibition Mechanism of Lithium Dendrite on Nitrogen-Doped Defective Graphite: The First Principles Studies

Journal of The Electrochemical Society (2019)

Li Huo Fangyuan Su Zonglin Yi Guangyu Cui Caili Zhang

The initial Li-ions nucleation on the basal plane of graphite anode with N-doped defects during the charge progress of lithium-ion battery was investigated theoretically by first-principle calculations using double-layered graphene (DLG) model. Based on the geometric structure optimization, the Li-ions are found to be accumulated on the top surface of N-doped DLG with single vacancy defect (SV-3N) in the near 2D structure. Also for the N-doped DLG with double vacancy defect (DV-4N), the Li-ions are deposit on its top surface, as well as could enter the interlayer space. The electronic analysis proves the ion character of Li layer. Therefore, the initial Li-ions nucleation on the basal plane of graphite with both N-doped SV and DV defects can be suppressed with different detailed mechanisms. The calculation of diffusion energy and lithiation potential shows that the Li-ions nucleation is inhibited via an adsorption-like and intercalation-like process on the DLG with SV-3N and DV-4N, respectively. Additionally, the calculated adsorption energy suggests that more Li atoms are adsorbed due to the presence of N, and thus the capacity of N doped graphite anode can be enhanced accordingly.

10.1149/2.1011908jes

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Citations (2)

A one-step graphene induction strategy enables in-situ controllable growth of silver nanowires for electromagnetic interference shielding

Carbon (2021)

Hui Jia Zonglin Yi Xianhong Huang Fangyuan Su Qingqiang Kong

Ohmic contact

10.1016/j.carbon.2021.07.067

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Citations (17)

Boosting the Low-Temperature Performance for Li-Ion Batteries in LiPF₆-Based Local High-Concentration Electrolyte

ACS Energy Letters (2023)

Ge Song Zonglin Yi Fangyuan Su Lijing Xie Zhenbing Wang

LiPF6-based commercial electrolytes are widely used in lithium-ion batteries (LIBs). However, due to the low ion conductivity that originated from the high freezing point of EC, sluggish desolvation process, and large interface resistance, LIBs with the currently commercial electrolyte based on LiPF6 demonstrate unsatisfactory performance in low-temperature operation. Herein, a LiPF6-based local high-concentration electrolyte with lithium difluorobis(oxalato)phosphate (LiDFBOP) additive is designed to enhance the performance of LIBs at low temperature. Higher-concentration LiPF6 in EC-free solvent improve the overall ionic conductivity of electrolyte. The Li+–solvent–PF6– structure can be obtained to reduce the desolvation energy; meanwhile, LiDFBOP is introduced to construct an effective SEI film with high ionic conductivity and cycle stability. The graphite/Li cells demonstrate good rate performance and low-temperature performance (ca. 240 mAh g–1 at −20 °C (0.1 C)). This work provides a feasible strategy for developing a commercial LiPF6-based electrolyte to improve the operation of LIBs at low temperature.

10.1021/acsenergylett.2c02903

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Citations (93)

Towards optimized Li-ion storage performance: Insight on the oxygen species evolution of hard carbon by H2 reduction

Electrochimica Acta (2020)

Jiayao Cheng Zonglin Yi Zhen-Bing Wang Feng Li Nana Gong

Oxygen evolution

Carbon fibers

10.1016/j.electacta.2020.135736

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Citations (30)

Influence of an Additive-Free Particle Spreading Method on Interactions between Charged Colloidal Particles at an Oil/Water Interface

Langmuir (2016)

Peng Gao Zonglin Yi Xiaochen Xing To Ngai Fan Jin

The assembly and manipulation of charged colloidal particles at oil/water interfaces represent active areas of fundamental and applied research. Previously, we have shown that colloidal particles can spontaneously generate unstable residual charges at the particle/oil interface when spreading solvent is used to disperse them at an oil/water interface. These residual charges in turn affect the long-ranged electrostatic repulsive forces and packing of particles at the interface. To further uncover the influence arising from the spreading solvents on interfacial particle interactions, in the present study we utilize pure buoyancy to drive the particles onto an oil/water interface and compare the differences between such a spontaneously adsorbed particle monolayer to the spread monolayer based on solvent spreading techniques. Our results show that the solvent-free method could also lead particles to spread well at the interface, but it does not result in violent sliding of particles along the interface. More importantly, this additive-free spreading method can avoid the formation of unstable residual charges at the particle/oil interface. These findings agree well with our previous hypothesis; namely, those unstable residual charges are triboelectric charges that arise from the violently rubbing of particles on oil at the interface. Therefore, if the spreading solvents could be avoided, then we would be able to get rid of the formation of residual charges at interfaces. This finding will provide insight for precisely controlling the interactions among colloidal particles trapped at fluid/fluid interfaces.

Rubbing

Particle (ecology)

Residual oil

Colloidal particle

Electrostatics

10.1021/acs.langmuir.6b01362

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Citations (6)

Utilizing the capacity below 0 V to maximize lithium storage of hard carbon anodes

Particuology (2023)

Qianlei Liu Liqin Dai Lijing Xie Zonglin Yi Mingxin Song

Compared with conventional graphite anode, hard carbons have the potential to make reversible lithium storage below 0 V accessible due to the formation of dendrites is slow. However, under certain conditions of high currents and lithiation depths, the irreversible plated lithium occurs and then results in the capacity losses. Herein, we systematically explore the true reversibility of hard carbon anodes below 0 V. We identify the lithiation boundary parameters that control the reversible capacity of hard carbon anodes. When the boundary capacity is controlled below 400 mAh g−1 with current density below 50 mA g−1, no lithium dendrites are observed during the lithiation process. Compared with the discharge cut-off voltage to 0 V, this boundary provides a nearly twice reversible capacity with the capacity retention of 80% after 172 cycles. The results of characterization and finite element model reveal that the large reversible capacity below 0 V of hard carbon anodes is mainly benefited from the dual effect of lithium intercalation and reversible lithium film. After the lithium intercalation, the over-lithiation induces the quick growth of lithium dendrites, worsening the electrochemical irreversibility. This work enables insights of the potentially low-voltage performance of hard carbons in lithium-ion batteries.

Carbon fibers

Capacity loss

10.1016/j.partic.2023.03.001

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Citations (5)