Guang Feng

Guang Feng
Huazhong University of Science and Technology | hust · State Key Laboratory of Coal Combustion (SKLCC)

PhD

About

140
Publications
41,317
Reads
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5,314
Citations
Citations since 2016
88 Research Items
4399 Citations
20162017201820192020202120220200400600800
20162017201820192020202120220200400600800
20162017201820192020202120220200400600800
20162017201820192020202120220200400600800
Introduction
• Explored thermal and dynamic properties of ionic liquids under specific confinements • The application of new (dicationic) ionic liquids in energy storage • Investigated interfacial phenomena of ionic liquids/electrodes using MD simulation
Additional affiliations
December 2013 - present
Huazhong University of Science and Technology
Position
  • Professer
October 2013 - present
Vanderbilt University
Position
  • Research Assistant
November 2010 - September 2013
Vanderbilt University
Position
  • PostDoc Position
Education
July 2006 - December 2010
Clemson University
Field of study
  • Department of Mechanical Engineering
September 2002 - June 2005
September 1998 - July 2002

Publications

Publications (140)
Article
Full-text available
Water-in-salt electrolytes are an appealing option for future electrochemical energy storage devices due to their safety and low toxicity. However, the physicochemical interactions occurring at the interface between the electrode and the water-in-salt electrolyte are not yet fully understood. Here, via in situ Raman spectroscopy and molecular dynam...
Article
Full-text available
As a class of porous materials with crystal lattices, metal‐organic frameworks (MOFs), featuring an outstanding specific surface area, tunable functionality, and versatile structures, have attracted huge attention in the past two decades. Since the first conductive MOF was successfully synthesized in 2009, considerable progress has been achieved fo...
Article
An accurate understanding of nanoscale gas transport mechanism is a fundamental concern in many engineering applications, which remains as a research challenge currently. Two particle-actuation modes, namely force-driven and pressure-driven methods, are evaluated and compared by molecular dynamics simulations of flows in nano-channels focusing on t...
Article
Nanopores are widely found in unconventional reservoirs, and the effect of nanoconfinement on CO2 enhanced oil recovery is still not fully understood. In this work, we have studied the kinetics of alkane replacement using CO2 in micropores (<2 nm) using molecular dynamics simulations. We found that the microstructures (Number and density of adsorpt...
Article
Electrochemical ion separation is a promising technology to recover valuable ionic species from water. Pseudocapacitive materials, especially 2D materials, are up-and-coming electrodes for electrochemical ion separation. For implementation, it is essential to understand the interplay of the intrinsic preference of a specific ion (by charge/size), k...
Article
Electrochemical seawater desalination has drawn significant attention as an energy-efficient technique to address the global issue of water remediation. Microporous carbons, that is, carbons with pore sizes smaller than 2 nm, are commonly used for capacitive deionization. However, micropores are ineffective for capacitive deionization at high molar...
Article
Rough characteristics of solid surfaces play an important role in fluid-solid interactions. In the present work, molecular dynamics (MD) simulation was used to study the oil displacement by CO2 flooding on the rectangular rough silica surface. Particular attention was given to the influence of rock roughness on oil recovery. The results showed that...
Article
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Extreme fast charging (XFC), with a recharging time of 15 min, is the key to the mainstream adoption of battery electric vehicles. Lithium metal, in the meantime, has re-emerged as the ultimate anode because of its ultrahigh specific capacity and low electrochemical potential. However, the low lithium-ion concentration near the lithium electrode su...
Article
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Molecular modeling has been considered indispensable in studying the energy storage of supercapacitors at the atomistic level. The constant potential method (CPM) allows the electric potential to be kept uniform in the electrode, which is essential for a realistic description of the charge repartition and dynamics process in supercapacitors. Howeve...
Preprint
Full-text available
Two-dimensional (2D) porous materials with high specific surface area and ordered morphology exhibit great potential as supercapacitor electrodes. The fundamental understanding of the charge storage and charging dynamics of 2D porous materials can help the optimal design of supercapacitors. Herein, we investigated the energy storage, including the...
Preprint
Full-text available
Molecular modeling can study the energy storage of supercapacitors at the atomistic level and has become indispensable in this research. The constant potential method (CPM) allows keeping the electric potential uniform on the electrode, which is essential for a realistic description of the charge repartition and dynamics process in supercapacitors....
Article
Asymmetric behaviors of capacitance and charging dynamics in the cathode and anode are general for nanoporous supercapacitors. Understanding this behavior is essential for the optimal design of supercapacitors. Herein, we perform constant-potential molecular dynamics simulations to reveal asymmetric features of porous supercapacitors and their effe...
Article
Low-grade heat (<100°C) is abundant and ubiquitous but is generally discarded owing to a lack of cost-effective recovery technologies. Emerging liquid-state thermocells (thermogalvanic cells or thermo-electrochemical cells), with advantages such as low cost, scalability, flexibility, and intrinsic high thermopower, may be a promising thermoelectric...
Article
Subnanometer pores of carbon discriminate against ions based on their size. Capitalizing on such nuanced differences enables ion separation via charge/discharge cycling during ion electrosorption. Different ion uptake capacities in aqueous media with multiple, competing ions are also of high importance to understand capacitive deionization of surfa...
Preprint
Full-text available
The asymmetric behaviors of capacitance and dynamics features in the cathode and anion are universal at porous supercapacitors. Understanding that is important to design optimal supercapacitors. In this work, we performed constant-potential molecular dynamics simulations to reveal asymmetric features of porous supercapacitors and their effects on c...
Article
Full-text available
Humid hydrophobic ionic liquids—widely used as electrolytes—have narrowed electrochemical windows due to the involvement of water, absorbed on the electrode surface, in electrolysis. In this work, we performed molecular dynamics simulations to explore effects of adding Li salt in humid ionic liquids on the water adsorbed on the electrode surface. R...
Article
Owing to high electrical conductivity and ability to reversibly host a variety of inserted ions, 2D metallic molybdenum disulfide (1T‐MoS2) has demonstrated promising energy storage performance when used as a supercapacitor electrode. However, its charge storage mechanism is still not fully understood, in particular, how the interlayer spacing of 1...
Article
Ions in the bulk of solvent‐free ionic liquids bind into ion pairs and clusters. The competition between the propensity of ions to stay in a bound state, and the reduction of the energy when unbinding in electric field, determines the portion of free ions in the electrical double layer (EDL). We present the simplest possible mean‐field theory to st...
Article
Liquid electrolytes with high ionic conductivity, high transference number for the target ions, and excellent electrochemical, chemical, and thermal stability are essential for electrochemical energy storage devices. Water-in-salt (WIS) electrolytes, in which the salt–water ratio is larger than one, are gaining intensive attention in the electroche...
Article
Full-text available
We performed constant-potential molecular dynamics simulations to analyse the double-layer structure and capacitive performance of supercapacitors composed of conductive metal–organic framework (MOF) electrodes and ionic liquids. The molecular modelling clarifies how ions transport and reside inside polarized porous MOFs, and then predicts the corr...
Preprint
Full-text available
Whereas the majority of ions in the bulk of a solvent-free ionic liquid is bound into clusters, this is expected to change in the electrical double layer (EDL), in which the resulting electric field 'prefers' to interact with electrical monopoles-free, unclustered ions. The competition between the propensity of ions to stay in a clustered state and...
Article
Large-scale energy storage batteries are crucial in effectively utilizing intermittent renewable energy (such as wind and solar energy). To reduce battery fabrication costs, we propose a minimal-design stirred battery with a gravity-driven self-stratified architecture that contains a zinc anode at the bottom, an aqueous electrolyte in the middle, a...
Article
Nanopores are abundant in unconventional reservoirs. Understanding the micro-behaviors of oil confined at such a small scale is favorable to the enhancement of oil recovery. In this study, molecular dynamics simulations were carried out to investigate the adsorption behaviors and structural properties of n-decane+CO2 mixtures confined within quartz...
Preprint
Full-text available
Humid hydrophobic ionic liquids, widely used as electrolytes, have narrowed electrochemical windows, because their water, absorbed on the electrode surface, gets involved in electrolysis. In this work, we performed molecular dynamics simulations to explore effects of adding Li-salt in humid ionic liquids on the water adsorbed on the electrode surfa...
Article
Using electrodes with subnanometer pores and ionic liquid electrolytes can improve the charge storage capacity at the expense of the charging rate. The fundamental understanding of the charging dynamics of nanoporous electrodes can help to avoid compromising the power density. In this work, we performed molecular dynamics simulations to reveal the...
Article
Capacitive deionization with porous carbon electrodes is an energy-efficient water treatment technique limited to the remediation of only brackish water due to the severe efficiency drop at high molar strength. Combining experiment and simulation, our work demonstrates the ability of subnanometer pores for permselective ion electrosorption, which e...
Article
Full-text available
In nanoconfinement, the reversible electrochemisorption of hydrogen extends the voltage window of aqueous electrolytes. This process has been well studied for different aqueous electrolytes but not compared to the performance of heavy water. Herein, we study hydrogen and deuterium electrosorption on a porous carbon electrode under negative polariza...
Article
Sodium-ion batteries (SIBs) are promising in large-scale energy storage because of the low cost and earth abundance of sodium. Although tin monosulfide (SnS) has attracted broad interest in SIBs due to its layered structure and large capacity, the sluggish sodiation kinetics, substantial volumetric variation, and electrochemical dissolution of inte...
Article
Structures of ionic liquids (ILs) 1-decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)azanide ([C10mim][TFSA]) and 1-decyl-dimethylimidazolium bis(trifluoromethanesulfonyl)azanide ([C10(mim)2](TFSA)2) in different-sized mica slits have been investigated using molecular dynamics simulations. Ion density and angular distributions for monocationi...
Article
Full-text available
Using molecular dynamics simulations and theoretical analysis of velocity-autocorrelation functions, we study ion transport mechanisms in typical room-temperature ionic liquids. We show that ions may reside in two states: free and bound with an interstate exchange. We investigate quantitatively the exchange process and reveal new qualitative featur...
Article
Ionic liquids (ILs) have been investigated extensively due to its unique ability to form the electric double layer (EDL) which induces high electrical field. For certain materials low temperature IL charging is needed to limit the electrochemical etching. Here we report our investigation of the low temperature charging dynamics in two widely used I...
Article
Understanding the electrical double layer (EDL) structure at the solid/liquid interface is critical towards realizing the full potential of electrochemical applications using ionic liquids. In this work, the out-of-plane and in-plane EDL structures of PYR 14 -TFSI on graphite (HOPG) have been studied by in-situ electrochemical atomic force microsco...
Article
Most studies of ionic liquid (IL) gated field effect transistors (FETs) focus on the extremely large electric field and capacitance induced in liquid/solid interfaces and correspondingly the significantly enhanced carrier density in semiconductors, which can appreciably improve the gating performance. However, how to boost the switching speed, anot...
Preprint
We present a 'computational microscopy' analysis (targeted molecular dynamics simulations) of the structure and performance of conductive metal organic framework (MOF) electrodes in supercapacitors with room temperature ionic liquids. The molecular modeling predicts the characteristic shapes of the potential dependence of electrode capacitance, rel...
Preprint
We present a computational microscopy analysis (targeted molecular dynamics simulations) of the structure and performance of conductive metal organic framework (MOF) electrodes in supercapacitors with room temperature ionic liquids. The molecular modeling predicts the characteristic shapes of the potential dependence of electrode capacitance, relyi...
Article
Manganese oxides with a layered structure (δ-MnO2) are deemed as potential electrode materials due to the extra ion transport channel between interlayers. However, dissolution and structure collapse in the electrochemical charge and discharge process usually leads to rapid capacity fading. In this work, we design a metal-ion (Ba2+, Sn2+, Co3+ and N...
Article
We performed constant-potential molecular dynamics simulations to analyse the double-layer structure and capacitive performance of supercapacitors composed of conductive metal–organic framework (MOF) electrodes and ionic liquids. The molecular modelling clarifies how ions transport and reside inside polarized porous MOFs, and then predicts the corr...
Article
Transitional metal phosphides are potential candidates of replacing benchmarked noble metal catalysts but suffering from the electrochemical leaching/corrosion in hydrogen evolution. Herein we report a core-shell structured chainmail catalyst composing Ni2P nanoparticles wrapped by ultrathin phosphorous-doped carbon shell on the graphene network. B...
Article
Full-text available
Thermogalvanic cells offer a cheap, flexible and scalable route for directly converting heat into electricity. However, achieving a high output voltage and power performance simultaneously from low-grade thermal energy remains challenging. Here, we introduce strong chaotropic cations (guanidinium) and highly soluble amide derivatives (urea) into aq...
Article
Full-text available
In supercapacitors based on ionic liquid electrolytes, small amounts of absorbed water could potentially reduce the electrochemical window of electrolytes and cause performance degradation. The same would take place if ionic liquids are used as solvents for electrocatalysis involving the dissolved molecular species. In this work, we carry out molec...
Article
Full-text available
In electric double layer transistors (EDLTs), it is well known that the EDL formed by ionic liquids (ILs) can induce an ultra-high carrier density at the semiconductor surface, compared to solid dielectric. However, the mechanism of device performance is still not fully understood, especially at a molecular level. Here we evaluate the gating perfor...
Article
Full-text available
CO2 enhanced oil recovery (CO2-EOR) has gained great attention worldwide for increasing oil production and reducing greenhouse emissions. In CO2-EOR project, the minimum miscibility pressure (MMP) is the key factor to determine the possibility of CO2 miscible-phase displacement. In this study, we used molecular dynamics (MD) simulation to estimate...
Article
Full-text available
Sulfur contamination has been a serious issue in oil industry so that desulfurization becomes a vital step in oil refinery to offer sulfur free products. The success of desulfurization requires disproportionation of sulfur‐containing molecules to form sulfur‐catenated compounds and further remove sulfur (S₈). The reaction of ethyl acetate (EtOAc) w...
Article
Aqueous electrolytes can be used for electrical double-layer capacitors, pseudocapacitors, and intercalation-type batteries. These technologies may employ different electrode materials, most importantly high surface area nanoporous carbon, two-dimensional materials, and metal oxides. All these materials also find more and more application in electr...
Article
2D transition metal nitrides, especially nitrogen‐rich tungsten nitrides (WxNy, y > x), such as W3N4 and W2N3, have a great potential for the hydrogen evolution reaction (HER) since the catalytic activity is largely enhanced by the abundant WN bonding. However, the rational synthesis of 2D nitrogen‐rich tungsten nitrides is challenging due to the...
Article
Co2P is one of the most promising non‐noble metal catalysts for hydrogen evolution reaction (HER) during water splitting, owing to its many advantages, such as earth‐abundance, high activity and good stability. The synthesized Co2P is multi‐faceted while its facet‐dependent HER activity is still little known. To explore the facet‐dependent HER acti...
Article
Selecting the most suitable force field is a key to meaningful molecular dynamics (MD) simulation. To select the appropriate gold force field to model the Au(111)/ionic liquid interface, a systematic comparison of four different widely used force fields of gold and a typical carbon force field has been studied by MD simulations with constant potent...
Preprint
Full-text available
Using classical molecular dynamics simulations, we investigate the mobility of ions in [Bmim][TFSI], a typical room temperature ionic liquid. Analyzing the trajectories of individual cations and anions, we estimate the time that ions spend in bound, clustered states, and when the ions move quasi-freely. Using this information, we evaluate the avera...
Article
Transition-metal phosphides (TMPs) are considered as promising non-noble electrochemical catalysts for hydrogen evolution reaction (HER). Their highly active sites are located on certain facets, and single crystalline two-dimensional (2D) structures enable them to expose the most active facets for HER. However, the synthesis of single crystalline 2...
Article
Electricity generation from the interaction between water and carbon materials is a new approach in the pursuit of high-efficiency energy conversion. Here, we report that a water droplet dropping onto a piece of porous carbon film can spontaneously generate electricity under ambient conditions. Twelve 5-μL water droplets can generate a voltage up t...
Article
CO2 enhanced oil recovery (EOR) is a promising technique for carbon capture, utilization and storage (CCUS). Owing to the abundant distribution of nanostructure in unconventional oil reservoirs, the investigation on the interfacial properties of the CO2 and oil system in nanopores is still lacking as well as the corresponding mechanism of displacem...
Article
Full-text available
Water in room temperature ionic liquids (RTILs) could impose significant effects on their interfacial properties at a charged surface. Although the interfaces between RTILs and mica surfaces exhibit rich microstructure, the influence of water content on such interfaces is little understood, in particular, considering the fact that RTILs are always...
Article
The temperature dependence of room temperature ionic liquids differential capacitance is studied here with both theoretical and computational methods. On the theory aspect, the lattice-gas mean-field theory of ionic liquids is further generalised to account for ‘ion pairing’ and ‘neutral aggregate’ formation. An anomalous temperature dependence of...
Article
Full-text available
Because of their exotic electronic properties and abundant active sites, two-dimensional (2D) materials have potential in various fields. Pursuing a general synthesis methodology of 2D materials and advancing it from the laboratory to industry is of great importance. This type of method should be low cost, rapid and highly efficient. Here, we repor...
Article
Full-text available
The performance of amino acid ionic liquid (AAIL) electrolytes in electrical double layers (EDLs) near planar graphene electrodes was investigated by classical molecular dynamics (MD) simulations in this work. Four types of AAILs, 1-ethyl-3-methylimidazolium glycine ([EMIM][GLY]), 1-ethyl-3-methylimidazolium serine ([EMIM][SER]), 1-ethyl-3-methylim...
Data
Supplementary Figures, Supplementary Tables, Supplementary Notes and Supplementary References.
Data
Process for synthesis of two-dimensional metal oxides and hydroxides via the molten salts method
Article
Full-text available
Room-temperature ionic liquids (RTILs) are an emerging class of electrolytes for supercapacitors. In this work, we investigate the effects of different supercapacitor models and anion shape on the electrical double layers (EDLs) of two different RTILs: 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([Emim][Tf2N]) and 1-ethyl-3-methy...