This page has only limited features, please log in for full access.
Anomalous diffusion plays an important role in many pivotal chemical engineering processes involving zeolites. However, the structure–property relationships of anomalous diffusion remain unclear, and fast prediction of anomalous diffusion properties is still challenging. Herein, the anomalous diffusion behaviors of light alkanes (methane, ethane and propane) in zeolites are investigated by combining molecular dynamics (MD) simulations with machine learning (ML) method. The Gradient Boosted Regression Trees (GBRT) algorithm is utilized to construct the structure–property relationship from 2200 groups of anomalous diffusion exponent α and anomalous diffusion coefficient Dα calculated by MD simulations. Furthermore, the structural parameters are ranked in order of importance and it is identified that the largest free sphere is the key factor governing anomalous diffusion phenomena. Finally, the method is employed to predict the diffusion behaviors of 200,000 hypothetical zeolites, which provides in-depth understanding of the anomalous diffusion trends in porous materials.
Pan Huang; Zhijian Yin; Yun Tian; Jie Yang; Wei Zhong; Chunzhong Li; Cheng Lian; Li Yang; Honglai Liu. Anomalous diffusion in zeolites. Chemical Engineering Science 2021, 246, 116995 .
AMA StylePan Huang, Zhijian Yin, Yun Tian, Jie Yang, Wei Zhong, Chunzhong Li, Cheng Lian, Li Yang, Honglai Liu. Anomalous diffusion in zeolites. Chemical Engineering Science. 2021; 246 ():116995.
Chicago/Turabian StylePan Huang; Zhijian Yin; Yun Tian; Jie Yang; Wei Zhong; Chunzhong Li; Cheng Lian; Li Yang; Honglai Liu. 2021. "Anomalous diffusion in zeolites." Chemical Engineering Science 246, no. : 116995.
The development of high-performance micro-supercapacitors (MSCs) highlights two-dimensional (2D) carbon materials with pseudocapacitive charge storage capacity. However, improving the electrochemical performances of these electrode materials are still challenging. Here, we synthesized 2D borocarbonitride nanomesh (BCNN) by carbonizng gel precursor of milk powder and boron oxide in 700, 800, and 900 °C, respectively, denoted as BCNN700, BCNN800, and BCNN900, as electrode for MSCs. By tailoring defects and atomic contents of BCNN, the areal capacitance increases from 30.5 mF cm−2 for BCNN700-MSCs to 80.1 mF cm−2 for BCNN900-MSCs with a hydrogel electrolyte. Notably, BCNN900-MSCs can provide a high energy density of 67.6 mWh cm−3with an ion-gel electrolyte, efficiently powering a liquid crystal display for 328 s. In addition, a first principles simulation verifies the effects of the dopants and pores on improving the total capacitance of BCNN by enhancing qauntam capacitance. Therefore, BCNN exhibits tremendous potential for applying on future energy storage devices.
Liangzhu Zhang; Kai Huang; Pengchao Wen; Jiemin Wang; Guoliang Yang; Dan Liu; Zifeng Lin; Cheng Lian; Honglai Liu; Shuanghao Zheng; Zhong-Shuai Wu; Weiwei Lei. Tailoring the defects of two-dimensional borocarbonitride nanomesh for high energy density micro-supercapacitor. Energy Storage Materials 2021, 42, 430 -437.
AMA StyleLiangzhu Zhang, Kai Huang, Pengchao Wen, Jiemin Wang, Guoliang Yang, Dan Liu, Zifeng Lin, Cheng Lian, Honglai Liu, Shuanghao Zheng, Zhong-Shuai Wu, Weiwei Lei. Tailoring the defects of two-dimensional borocarbonitride nanomesh for high energy density micro-supercapacitor. Energy Storage Materials. 2021; 42 ():430-437.
Chicago/Turabian StyleLiangzhu Zhang; Kai Huang; Pengchao Wen; Jiemin Wang; Guoliang Yang; Dan Liu; Zifeng Lin; Cheng Lian; Honglai Liu; Shuanghao Zheng; Zhong-Shuai Wu; Weiwei Lei. 2021. "Tailoring the defects of two-dimensional borocarbonitride nanomesh for high energy density micro-supercapacitor." Energy Storage Materials 42, no. : 430-437.
Major challenges of realization of all-in-one hydrogen-evolving photocatalysts are the relatively poor charge separation efficiency and unfavorable hydrogen desorption properties owing to the strong correlation between the catalytic site and adsorbed H. Herein, an example of Ni doped few-layer ZnIn2S4 nanosheets (Ni-ZnIn2S4) is carried out to deeply understand the role of Ni dopant in tailoring the charge separation efficiency and weakening the bond energy between electronegative S sites and adsorbed H (S-Hads). Our theoretical calculations demonstrate that Ni ions preferentially incorporates into tetrahedral Zn sites rather than tetrahedral/octahedral In sites, which endows Ni-ZnIn2S4 with improved electronic conductivity and more delocalized charge carriers involved in hydrogen evolution reaction (HER). More importantly, Ni dopants can be capable of exquisitely altering the electronic structure of S sites, leading to a balanced hydrogen adsorption and desorption ability. Consequently, the as-prepared few-layer Ni-ZnIn2S4 nanosheets enable long-lived photo-excited electrons and enhanced photocatalytic HER performance.
Bocheng Qiu; Pan Huang; Cheng Lian; Yingxin Ma; Mingyang Xing; Honglai Liu; Jinlong Zhang. Realization of all-in-one hydrogen-evolving photocatalysts via selective atomic substitution. Applied Catalysis B: Environmental 2021, 298, 120518 .
AMA StyleBocheng Qiu, Pan Huang, Cheng Lian, Yingxin Ma, Mingyang Xing, Honglai Liu, Jinlong Zhang. Realization of all-in-one hydrogen-evolving photocatalysts via selective atomic substitution. Applied Catalysis B: Environmental. 2021; 298 ():120518.
Chicago/Turabian StyleBocheng Qiu; Pan Huang; Cheng Lian; Yingxin Ma; Mingyang Xing; Honglai Liu; Jinlong Zhang. 2021. "Realization of all-in-one hydrogen-evolving photocatalysts via selective atomic substitution." Applied Catalysis B: Environmental 298, no. : 120518.
Lithium metal anode is the most ideal candidate for next-generation energy storage system. However, the uncontrolled dendrite growth, infinite volume expansion and undesired side reactions lead to serious safety issues and hinder their potential application. Herein, a pre-lithiation strategy is proposed to construct a high-lithiophilic Cu-Li2O matrix on commercial Cu foil. The in-situ generated Li2O promise adequate nucleation sites, strengthen solid electrolyte interphase and lateral lithium deposition. Meanwhile, the existence of 3D matrix reduces the local current density. The synergy effect of Li2O and Cu suppress the growth of lithium dendrites. As a result, Cu-Li2O matrix reveals an enhanced lithium plating/stripping behavior with Coulombic efficiency of 98.46% after 270 cycles. The symmetrical cell assembled by Li-plated electrodes displays a prolonged lifespan of 1400 h. The work demonstrates a scalable and effective approach for modified current collectors towards stable Li metal anode.
Zhe Gong; Cheng Lian; Pengfei Wang; Kai Huang; Kai Zhu; Ke Ye; Jun Yan; Guiling Wang; Dianxue Cao. Lithiophilic Cu‐Li 2 O matrix on a Cu Collector to Stabilize Lithium Deposition for Lithium Metal Batteries. ENERGY & ENVIRONMENTAL MATERIALS 2021, 1 .
AMA StyleZhe Gong, Cheng Lian, Pengfei Wang, Kai Huang, Kai Zhu, Ke Ye, Jun Yan, Guiling Wang, Dianxue Cao. Lithiophilic Cu‐Li 2 O matrix on a Cu Collector to Stabilize Lithium Deposition for Lithium Metal Batteries. ENERGY & ENVIRONMENTAL MATERIALS. 2021; ():1.
Chicago/Turabian StyleZhe Gong; Cheng Lian; Pengfei Wang; Kai Huang; Kai Zhu; Ke Ye; Jun Yan; Guiling Wang; Dianxue Cao. 2021. "Lithiophilic Cu‐Li 2 O matrix on a Cu Collector to Stabilize Lithium Deposition for Lithium Metal Batteries." ENERGY & ENVIRONMENTAL MATERIALS , no. : 1.
Zhu Zhang; Jie Yang; Cheng Lian; Sanli Faez. Computing the Local Ion Concentration Variations for Electric-Double-Layer-Modulation Microscopy. Journal of Physics D: Applied Physics 2021, 1 .
AMA StyleZhu Zhang, Jie Yang, Cheng Lian, Sanli Faez. Computing the Local Ion Concentration Variations for Electric-Double-Layer-Modulation Microscopy. Journal of Physics D: Applied Physics. 2021; ():1.
Chicago/Turabian StyleZhu Zhang; Jie Yang; Cheng Lian; Sanli Faez. 2021. "Computing the Local Ion Concentration Variations for Electric-Double-Layer-Modulation Microscopy." Journal of Physics D: Applied Physics , no. : 1.
Using a combination of experimental measurements and molecular dynamic (MD) simulations, we study the impedance of hybrid electrode composed of graphene and carbon nanometer onions (CNOs). On the experiment’s side, electrochemical measurements are conducted on the electrodde sample prepared from growing CNOs onto the graphitic plane. The general trend of impedance’s variations with frequencies is identified at different temperatures and ion concentration. Parameter fitting of equivalent circuit is accomplished with the assistance from machine learning technique using neural network. On the simulation’s side, electrode geometries including concave slit-pore and convex CNO-pore surfaces are modeled to investigate ion movements. Based on trajectories of ion dynamics, the physical origin of corresponding equivalent circuit component such as constant phase element is revealed. Regarding the geometry of electrode surface, the divide between planar and nonplanar part is observed in terms of charging level and charging time constant. Between the slit-pore and CNO-pore geometries, the differences in impedance spectrum is quantitatively characterized by solving the topology of and parameter of transmission line model of the equivalent circuit. In the branch of transmission line model, the resistance and capacitance are both larger for the space closer to the pore bottom or further from pore mouth.
Ke Ma; Boyu Qin; Xuewei Wang. Understanding the Impedance of CNOs-Graphene hybrid electrode through both experimental and simulated electrochemical impedance spectrum. Electrochimica Acta 2021, 371, 137839 .
AMA StyleKe Ma, Boyu Qin, Xuewei Wang. Understanding the Impedance of CNOs-Graphene hybrid electrode through both experimental and simulated electrochemical impedance spectrum. Electrochimica Acta. 2021; 371 ():137839.
Chicago/Turabian StyleKe Ma; Boyu Qin; Xuewei Wang. 2021. "Understanding the Impedance of CNOs-Graphene hybrid electrode through both experimental and simulated electrochemical impedance spectrum." Electrochimica Acta 371, no. : 137839.
Understanding the microscopic structure and thermodynamic properties of electrode/electrolyte interfaces is central to the rational design of electric-double-layer capacitors (EDLCs).Whereas practical applications often entail electrodes with complicated pore structures, current theoretical studies are mostly restricted to EDLCs with simple geometry such as planar or slit pores that ignore the curvature effects of the electrode surface. Significant gaps exist regarding the EDLC performance and the interfacial structure. Herein the classical density functional theory (CDFT) is used to study the capacitance and interfacial behavior of spherical electric double layers within a coarse-grained model. The capacitive performance is associated with electrode curvature, surface potential, and electrolyte concentration and can be correlated with a regression-tree (RT) model. Combination of CDFT and RT provides a quantitative framework useful for computational screening of porous electrodes and novel electrolytes.
Jie Yang; Alejandro Gallegos; Cheng Lian; Shengwei Deng; Honglai Liu; Jianzhong Wu. Curvature effects on electric-double-layer capacitance. Chinese Journal of Chemical Engineering 2020, 31, 145 -152.
AMA StyleJie Yang, Alejandro Gallegos, Cheng Lian, Shengwei Deng, Honglai Liu, Jianzhong Wu. Curvature effects on electric-double-layer capacitance. Chinese Journal of Chemical Engineering. 2020; 31 ():145-152.
Chicago/Turabian StyleJie Yang; Alejandro Gallegos; Cheng Lian; Shengwei Deng; Honglai Liu; Jianzhong Wu. 2020. "Curvature effects on electric-double-layer capacitance." Chinese Journal of Chemical Engineering 31, no. : 145-152.
An upright silk fibroin/lithium foil alternating array is fabricated to facilitate an unexpected SEI with a robust layered structure of lithium deposited on the anode (revealed by cryogenic electron microscopy), thus significantly suppressing dendrites.
Baolin Zhang; Haodong Shi; Zhijin Ju; Kai Huang; Cheng Lian; Yao Wang; Ouwei Sheng; Jianhui Zheng; Jianwei Nai; Tiefeng Liu; Yang Jin; Yujing Liu; Chuanfang (John) Zhang; Xinyong Tao. Arrayed silk fibroin for high-performance Li metal batteries and atomic interface structure revealed by cryo-TEM. Journal of Materials Chemistry A 2020, 8, 26045 -26054.
AMA StyleBaolin Zhang, Haodong Shi, Zhijin Ju, Kai Huang, Cheng Lian, Yao Wang, Ouwei Sheng, Jianhui Zheng, Jianwei Nai, Tiefeng Liu, Yang Jin, Yujing Liu, Chuanfang (John) Zhang, Xinyong Tao. Arrayed silk fibroin for high-performance Li metal batteries and atomic interface structure revealed by cryo-TEM. Journal of Materials Chemistry A. 2020; 8 (48):26045-26054.
Chicago/Turabian StyleBaolin Zhang; Haodong Shi; Zhijin Ju; Kai Huang; Cheng Lian; Yao Wang; Ouwei Sheng; Jianhui Zheng; Jianwei Nai; Tiefeng Liu; Yang Jin; Yujing Liu; Chuanfang (John) Zhang; Xinyong Tao. 2020. "Arrayed silk fibroin for high-performance Li metal batteries and atomic interface structure revealed by cryo-TEM." Journal of Materials Chemistry A 8, no. 48: 26045-26054.
Die Beziehung von Zeolithkanalgeometrie und Reaktionsintermediaten bei der Umwandlung von Methanol in Kohlenwasserstoffe wurde durch Festkörper‐NMR‐Spektroskopie untersucht. Wie M. Baldus, B. M. Weckhuysen et al. in ihrem Forschungsartikel (DOI: 10.1002/ange.202009139) beschreiben, begünstigen ausgedehntere, gerade Zeolithkanäle den aromatischen Zyklus und etwas steifere, sinusförmige Zeolithkanäle den Olefin‐Zyklus.
Donglong Fu; Alessandra Lucini Paioni; Cheng Lian; Onno Van Der Heijden; Marc Baldus; Bert M. Weckhuysen. Elucidating Zeolite Channel Geometry–Reaction Intermediate Relationships for the Methanol‐to‐Hydrocarbon Process. Angewandte Chemie 2020, 132, 1 .
AMA StyleDonglong Fu, Alessandra Lucini Paioni, Cheng Lian, Onno Van Der Heijden, Marc Baldus, Bert M. Weckhuysen. Elucidating Zeolite Channel Geometry–Reaction Intermediate Relationships for the Methanol‐to‐Hydrocarbon Process. Angewandte Chemie. 2020; 132 (45):1.
Chicago/Turabian StyleDonglong Fu; Alessandra Lucini Paioni; Cheng Lian; Onno Van Der Heijden; Marc Baldus; Bert M. Weckhuysen. 2020. "Elucidating Zeolite Channel Geometry–Reaction Intermediate Relationships for the Methanol‐to‐Hydrocarbon Process." Angewandte Chemie 132, no. 45: 1.
Zeolite channel geometry–reaction intermediate relationships during the methanol‐to‐hydrocarbon process were identified using advanced solid‐state NMR spectroscopy. As described by M. Baldus, B. M. Weckhuysen, and co‐workers in their Research Article (DOI: 10.1002/anie.202009139), the more extended straight zeolite channels promote the aromatic cycle, while the more constrained sinusoidal zeolite channels favor the olefin cycle.
Donglong Fu; Alessandra Lucini Paioni; Cheng Lian; Onno Van Der Heijden; Marc Baldus; Bert M. Weckhuysen. Cover Picture: Elucidating Zeolite Channel Geometry–Reaction Intermediate Relationships for the Methanol‐to‐Hydrocarbon Process (Angew. Chem. Int. Ed. 45/2020). Angewandte Chemie International Edition 2020, 59, 19725 -19725.
AMA StyleDonglong Fu, Alessandra Lucini Paioni, Cheng Lian, Onno Van Der Heijden, Marc Baldus, Bert M. Weckhuysen. Cover Picture: Elucidating Zeolite Channel Geometry–Reaction Intermediate Relationships for the Methanol‐to‐Hydrocarbon Process (Angew. Chem. Int. Ed. 45/2020). Angewandte Chemie International Edition. 2020; 59 (45):19725-19725.
Chicago/Turabian StyleDonglong Fu; Alessandra Lucini Paioni; Cheng Lian; Onno Van Der Heijden; Marc Baldus; Bert M. Weckhuysen. 2020. "Cover Picture: Elucidating Zeolite Channel Geometry–Reaction Intermediate Relationships for the Methanol‐to‐Hydrocarbon Process (Angew. Chem. Int. Ed. 45/2020)." Angewandte Chemie International Edition 59, no. 45: 19725-19725.
Chemical industry has exploited zeolite shape selectivity for more than 50 years, yet our fundamental understanding remains still limited. Herein, the zeolite channel geometry‐reactive intermediates relationships have been studied in detail over anisotropic zeolite ZSM‐5 crystals during the methanol‐to‐hydrocarbons (MTH) process, using advanced magic angle spinning (MAS) solid‐state NMR (ssNMR) spectroscopy. The utilization of anisotropic crystals enabled the preferential formation of reactive intermediates in single oriented zeolite channels, as revealed by molecular dynamics simulations and in‐situ UV‐Vis diffuse‐reflectance spectroscopy. The ssNMR results show that the slightly more rigid sinusoidal zeolite channels favor the olefin cycle by promoting the homologation of alkanes, while the extended straight zeolite ZSM‐5 channels foster the aromatic cycle with a higher degree of alkylation of aromatics. Dynamic nuclear polarization (DNP) experiments further indicate the preferential formation of heavy aromatics at the sinusoidal channel dominated surface, providing further insights into catalyst deactivation.
Donglong Fu; Alessandra Lucini Paioni; Cheng Lian; Onno Van Der Heijden; Marc Baldus; Bert Marc Weckhuysen. Elucidating Zeolite Channel Geometry–Reaction Intermediate Relationships for the Methanol‐to‐Hydrocarbon Process. Angewandte Chemie International Edition 2020, 59, 20024 -20030.
AMA StyleDonglong Fu, Alessandra Lucini Paioni, Cheng Lian, Onno Van Der Heijden, Marc Baldus, Bert Marc Weckhuysen. Elucidating Zeolite Channel Geometry–Reaction Intermediate Relationships for the Methanol‐to‐Hydrocarbon Process. Angewandte Chemie International Edition. 2020; 59 (45):20024-20030.
Chicago/Turabian StyleDonglong Fu; Alessandra Lucini Paioni; Cheng Lian; Onno Van Der Heijden; Marc Baldus; Bert Marc Weckhuysen. 2020. "Elucidating Zeolite Channel Geometry–Reaction Intermediate Relationships for the Methanol‐to‐Hydrocarbon Process." Angewandte Chemie International Edition 59, no. 45: 20024-20030.
Chemical industry has exploited zeolite shape selectivity for more than 50 years, yet our fundamental understanding remains still limited. Herein, the zeolite channel geometry‐reactive intermediates relationships have been studied in detail over anisotropic zeolite ZSM‐5 crystals during the methanol‐to‐hydrocarbons (MTH) process, using advanced magic angle spinning (MAS) solid‐state NMR (ssNMR) spectroscopy. The utilization of anisotropic crystals enabled the preferential formation of reactive intermediates in single oriented zeolite channels, as revealed by molecular dynamics simulations and in‐situ UV‐Vis diffuse‐reflectance spectroscopy. The ssNMR results show that the slightly more rigid sinusoidal zeolite channels favor the olefin cycle by promoting the homologation of alkanes, while the extended straight zeolite ZSM‐5 channels foster the aromatic cycle with a higher degree of alkylation of aromatics. Dynamic nuclear polarization (DNP) experiments further indicate the preferential formation of heavy aromatics at the sinusoidal channel dominated surface, providing further insights into catalyst deactivation.
Donglong Fu; Alessandra Lucini Paioni; Cheng Lian; Onno Van Der Heijden; Marc Baldus; Bert Marc Weckhuysen. Elucidating Zeolite Channel Geometry–Reaction Intermediate Relationships for the Methanol‐to‐Hydrocarbon Process. Angewandte Chemie 2020, 132, 20199 -20205.
AMA StyleDonglong Fu, Alessandra Lucini Paioni, Cheng Lian, Onno Van Der Heijden, Marc Baldus, Bert Marc Weckhuysen. Elucidating Zeolite Channel Geometry–Reaction Intermediate Relationships for the Methanol‐to‐Hydrocarbon Process. Angewandte Chemie. 2020; 132 (45):20199-20205.
Chicago/Turabian StyleDonglong Fu; Alessandra Lucini Paioni; Cheng Lian; Onno Van Der Heijden; Marc Baldus; Bert Marc Weckhuysen. 2020. "Elucidating Zeolite Channel Geometry–Reaction Intermediate Relationships for the Methanol‐to‐Hydrocarbon Process." Angewandte Chemie 132, no. 45: 20199-20205.
The maximum power and consistency assessment are key technologies for the practical application of energy storage device packs such as carbon supercapacitors (SCs) connected in series. Herein, we first report a simple practical strategy to efficiently evaluate SCs’ maximum power and consistency by using the dependence of direct-current equivalent series resistance (ESRdc) on current density from small to large, and demonstrate its general applicability to SCs using neutral, acidic and alkaline aqueous electrolytes. With this strategy implemented by a computer program, a group of highly consistent SCs with safe power can be obtained, especially for high-rate consistency associated with ionic resistance under high power operation. The ESRdc evolution is attributed to the dynamic migration resistance of ions migrating from micro- to meso-/macropores, which contains the real ion migration/storage characteristic information. This study provides real practical application possibilities for solving the problems of SC consistency assessment and rated power setting in batch.
Yongfeng Bu; Hongyu Liang; RenXing Shi; Haitao Liu; Yanzhi Zhang; Tao Sun; Cheng Lian; Xiangqian Shen; Hua-Ming Li. Assessing the Maximum Power and Consistency of Carbon Supercapacitors Through a Facile Practical Strategy. ACS Sustainable Chemistry & Engineering 2020, 8, 1 .
AMA StyleYongfeng Bu, Hongyu Liang, RenXing Shi, Haitao Liu, Yanzhi Zhang, Tao Sun, Cheng Lian, Xiangqian Shen, Hua-Ming Li. Assessing the Maximum Power and Consistency of Carbon Supercapacitors Through a Facile Practical Strategy. ACS Sustainable Chemistry & Engineering. 2020; 8 (33):1.
Chicago/Turabian StyleYongfeng Bu; Hongyu Liang; RenXing Shi; Haitao Liu; Yanzhi Zhang; Tao Sun; Cheng Lian; Xiangqian Shen; Hua-Ming Li. 2020. "Assessing the Maximum Power and Consistency of Carbon Supercapacitors Through a Facile Practical Strategy." ACS Sustainable Chemistry & Engineering 8, no. 33: 1.
Understanding the mechanisms and properties of various transport processes in the electrolyte, porous electrode, and at the interface between electrode and electrolyte plays a crucial role in guiding the improvement of electrolytes, materials and microstructures of electrode. Nanoscale equilibrium properties and nonequilibrium ion transport are substantially different to that in the bulk, which are difficult to observe from experiments directly. In this paper, we introduce equilibrium and no-equilibrium thermodynamics for electrolyte in porous electrodes or electrolyte-electrode interface. The equilibrium properties of electrical double layer (EDL) including the EDL structure and capacitance are discussed. In addition, classical non-equilibrium thermodynamic theory is introduced to help us understand the coupling effect of different transport processes. We also review the recent studies of nonequilibrium ion transport in porous electrode by molecular and continuum methods, among these methods, dynamic density functional theory (DDFT) shows tremendous potential as its high efficiency and high accuracy. Moreover, some opportunities for future development and application of the non-equilibrium thermodynamics in electrochemical system are prospected.
Haolan Tao; Cheng Lian; Honglai Liu. Multiscale modeling of electrolytes in porous electrode: From equilibrium structure to non-equilibrium transport. Green Energy & Environment 2020, 5, 303 -321.
AMA StyleHaolan Tao, Cheng Lian, Honglai Liu. Multiscale modeling of electrolytes in porous electrode: From equilibrium structure to non-equilibrium transport. Green Energy & Environment. 2020; 5 (3):303-321.
Chicago/Turabian StyleHaolan Tao; Cheng Lian; Honglai Liu. 2020. "Multiscale modeling of electrolytes in porous electrode: From equilibrium structure to non-equilibrium transport." Green Energy & Environment 5, no. 3: 303-321.
Room-temperature ionic liquids (RTILs) have shown great potential in promoting the widespread application of energy storage devices. The relationship between the electrical double layer (EDL) structure and capacitive performance of different RTILs is vital to the rational design of novel RTIL electrolytes. Herein, we have investigated the microscopic structures of three types of RTILs containing cations with varying tail lengths in nanopores, their charging behaviors, and their EDL capacitances using classical density functional theory (CDFT). The results show that the interfacial structure changes from a monolayer to a bilayer as the neutral chain length of the cations increases, which is in agreement with previous experimental results (Smith et al., 2013). Moreover, the RTILs containing cations with longer chains can significantly enhance the capacitance in nearly neutral pores, while they dampen capacitance under negative electrical potential and show little disadvantage when positive potential is applied.
Jie Yang; Cheng Lian; Honglai Liu. Chain length matters: Structural transition and capacitance of room temperature ionic liquids in nanoporous electrodes. Chemical Engineering Science 2020, 227, 115927 .
AMA StyleJie Yang, Cheng Lian, Honglai Liu. Chain length matters: Structural transition and capacitance of room temperature ionic liquids in nanoporous electrodes. Chemical Engineering Science. 2020; 227 ():115927.
Chicago/Turabian StyleJie Yang; Cheng Lian; Honglai Liu. 2020. "Chain length matters: Structural transition and capacitance of room temperature ionic liquids in nanoporous electrodes." Chemical Engineering Science 227, no. : 115927.
The combination of CDFT and surface reaction model captures the charge regulation of porous silica under nanoconfinement.
Jie Yang; Haiping Su; Cheng Lian; Yazhuo Shang; Honglai Liu; Jianzhong Wu. Understanding surface charge regulation in silica nanopores. Physical Chemistry Chemical Physics 2020, 22, 15373 -15380.
AMA StyleJie Yang, Haiping Su, Cheng Lian, Yazhuo Shang, Honglai Liu, Jianzhong Wu. Understanding surface charge regulation in silica nanopores. Physical Chemistry Chemical Physics. 2020; 22 (27):15373-15380.
Chicago/Turabian StyleJie Yang; Haiping Su; Cheng Lian; Yazhuo Shang; Honglai Liu; Jianzhong Wu. 2020. "Understanding surface charge regulation in silica nanopores." Physical Chemistry Chemical Physics 22, no. 27: 15373-15380.
Photocatalytic CO2 reduction suffers from the weakness of high energy barrier, low efficiency and poor selectivity. Exploring effective strategy to enhance the adsorption and activation behavior of CO2 molecules is an alternative approach to boost CO2 photoreduction performance. In this work, abundant oxygen vacancies (VO) are introduced onto Bi2Sn2O7 nanoparticles (NPs) by decreasing their size down to about 4 nm. The VO mediated NPs exhibit a tremendous 8.1 times enhanced performance than the bulk counterpart towards CO2-to-CO conversion in pure water. This is attributed to fast charge diffusion and abundant Vo for effective CO2 adsorption and activation in the ultra-small nanoparticles. The VO mediated Bi2Sn2O7 NPs have electron back donation nature and optimized electronic structure for effectively activating CO2, which were demonstrated by density functional theory calculations. During the reduction process, the Vo can effeciently stabilize the COOH* intermediates, and also lower the energy barrier of CO desorption determining step.
Shasha Guo; Jun Di; Chao Chen; Chao Zhu; Meilin Duan; Cheng Lian; Mengxia Ji; Weiqiang Zhou; Manzhang Xu; Pin Song; Ran Long; Xun Cao; Kaizhi Gu; Jiexiang Xia; Honglai Liu; Yanli Zhao; Li Song; Yujie Xiong; Shuzhou Li; Zheng Liu. Oxygen vacancy mediated bismuth stannate ultra-small nanoparticle towards photocatalytic CO2-to-CO conversion. Applied Catalysis B: Environmental 2020, 276, 119156 .
AMA StyleShasha Guo, Jun Di, Chao Chen, Chao Zhu, Meilin Duan, Cheng Lian, Mengxia Ji, Weiqiang Zhou, Manzhang Xu, Pin Song, Ran Long, Xun Cao, Kaizhi Gu, Jiexiang Xia, Honglai Liu, Yanli Zhao, Li Song, Yujie Xiong, Shuzhou Li, Zheng Liu. Oxygen vacancy mediated bismuth stannate ultra-small nanoparticle towards photocatalytic CO2-to-CO conversion. Applied Catalysis B: Environmental. 2020; 276 ():119156.
Chicago/Turabian StyleShasha Guo; Jun Di; Chao Chen; Chao Zhu; Meilin Duan; Cheng Lian; Mengxia Ji; Weiqiang Zhou; Manzhang Xu; Pin Song; Ran Long; Xun Cao; Kaizhi Gu; Jiexiang Xia; Honglai Liu; Yanli Zhao; Li Song; Yujie Xiong; Shuzhou Li; Zheng Liu. 2020. "Oxygen vacancy mediated bismuth stannate ultra-small nanoparticle towards photocatalytic CO2-to-CO conversion." Applied Catalysis B: Environmental 276, no. : 119156.
Room-temperature ionic liquids (RTILs) together with nano-porous electrodes are the most promising materials for supercapacitors and batteries. Many theoretical works have addressed the structures and performances of RTILs inside nanopores. However, only limited attention has been given to how the dispersion forces of RTILs influence the behavior of ions inside the slit pores. Toward this aim, we investigate the effects of various dispersion forces between ions on the macroscopic structures in nanoconfinement and the capacitance performance of supercapacitors by the classical density functional theory (CDFT). The results show that the dispersion force can significantly change the mechanism of the charging process and even the shape of differential capacitance curves. In addition, the voltage-dependent structures of RTILs with appropriate dispersion force appears in a given silt pore, which leads to extremely high capacitance and enhances the energy storage density. We hope that this work could further offer guidance for the optimizing of electrolytes for electrical double layer capacitors, like tuning the dispersion force between ions by adding/removing certain chemical groups on the cations and anions of RTILs.
Jie Yang; Yajun Ding; Cheng Lian; Sanjiu Ying; Honglai Liu. Theoretical Insights into the Structures and Capacitive Performances of Confined Ionic Liquids. Polymers 2020, 12, 722 .
AMA StyleJie Yang, Yajun Ding, Cheng Lian, Sanjiu Ying, Honglai Liu. Theoretical Insights into the Structures and Capacitive Performances of Confined Ionic Liquids. Polymers. 2020; 12 (3):722.
Chicago/Turabian StyleJie Yang; Yajun Ding; Cheng Lian; Sanjiu Ying; Honglai Liu. 2020. "Theoretical Insights into the Structures and Capacitive Performances of Confined Ionic Liquids." Polymers 12, no. 3: 722.
The development of novel electrolytes and electrodes for supercapacitors is hindered by a gap of several orders of magnitude between experimentally measured and theoretically predicted charging time scales. Here, we propose an electrode model, containing many parallel stacked electrodes, that explains the slow charging dynamics of supercapacitors. At low applied potentials, the charging behavior of this model is described well by an equivalent circuit model. Conversely, at high potentials, charging dynamics slow down and evolve on two relaxation time scales: a generalized RC time and a diffusion time, which, interestingly, become similar for porous electrodes. The charging behavior of the stack-electrode model presented here helps to understand the charging dynamics of porous electrodes and qualitatively agrees with experimental time scales measured with porous electrodes.
Cheng Lian; Mathijs Janssen; Honglai Liu; René van Roij. Blessing and Curse: How a Supercapacitor’s Large Capacitance Causes its Slow Charging. Physical Review Letters 2020, 124, 076001 .
AMA StyleCheng Lian, Mathijs Janssen, Honglai Liu, René van Roij. Blessing and Curse: How a Supercapacitor’s Large Capacitance Causes its Slow Charging. Physical Review Letters. 2020; 124 (7):076001.
Chicago/Turabian StyleCheng Lian; Mathijs Janssen; Honglai Liu; René van Roij. 2020. "Blessing and Curse: How a Supercapacitor’s Large Capacitance Causes its Slow Charging." Physical Review Letters 124, no. 7: 076001.
Haolan Tao; Sen Lin; Cheng Lian; Chunzhong Li; Honglai Liu. Microscopic insights into the ion transport in graphene-based membranes with different interlayer spacing distributions. Chemical Engineering Science 2020, 212, 1 .
AMA StyleHaolan Tao, Sen Lin, Cheng Lian, Chunzhong Li, Honglai Liu. Microscopic insights into the ion transport in graphene-based membranes with different interlayer spacing distributions. Chemical Engineering Science. 2020; 212 ():1.
Chicago/Turabian StyleHaolan Tao; Sen Lin; Cheng Lian; Chunzhong Li; Honglai Liu. 2020. "Microscopic insights into the ion transport in graphene-based membranes with different interlayer spacing distributions." Chemical Engineering Science 212, no. : 1.