Cong Wang

Bio: Cong Wang is an academic researcher from Northeast Normal University. The author has contributed to research in topics: Monolayer & Electron mobility. The author has an hindex of 5, co-authored 13 publications receiving 62 citations. Previous affiliations of Cong Wang include Changchun University of Science and Technology & Yanshan University.

A two-dimensional conductive Mo-based covalent organic framework as an efficient electrocatalyst for nitrogen fixation

Abstract: Electrocatalytic reduction of nitrogen (N2) is considered as a simple, green, and sustainable method for producing ammonia (NH3). Inspired by the recent experimental synthesis of a two-dimensional intrinsically conductive Ni-based covalent organic framework (Mirica et al., J. Am. Chem. Soc., 2019, 141, 11929–11937), here, on the basis of density functional theory (DFT), we explore the electrocatalytic performance of a series of stable and conductive two-dimensional (2D) TM-based covalent organic frameworks (TM-COFs, TM = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Nb, Mo, Ru, Rh, Pd, Ag, W, Ir, Pt, and Au, respectively) toward the N2 reduction reaction (NRR), which are constructed by the robust linkage between 2,3,9,10,16,17,23,24-octaamino-metallophthalocyanine and pyrene-4,5,9,10-tetraone. The computational results show that the 2D conductive Mo-COF exhibits the highest electrocatalytic performance for N2 fixation with a very low overpotential of 0.16 V among the 20 candidates, and can effectively inhibit the competitive hydrogen evolution reaction (HER). The outstanding NRR activity and selectivity of the Mo-COF stem from its inherent superiorities, such as excellent electrical conductivity, significant positive charge and large spin moment on the Mo atom, and appropriate adsorption strength for NRR species. This work will promote more experimental research in this field to discover more highly active COF-based catalysts for advancing sustainable NH3 production.

Two-Dimensional Cobaltporphyrin-based Cobalt–OrganicFramework as an Efficient Photocatalyst for CO 2 ReductionReaction: A Computational Study

Abstract: The improvement of the photocatalytic performance of cobaltporphyrin as CO2 reduction catalysts by chemical modification has become a current research hotspot. Here, we contrastively investigate th...

An intriguing window opened by a metallic two-dimensional Lindqvist-cobaltporphyrin organic framework as an electrochemical catalyst for the CO2 reduction reaction

Abstract: Adequate studies have confirmed that polyoxometalates (POMs) are preeminent multi-electron donors and metalloporphyrins are electrochemically generated active catalysts for the CO2 reduction reaction. Integrating electron-rich POMs with metalloporphyrins in a metallic and stable organic framework can create facile and fascinating heterogeneous electrochemical catalysts by merging their complementary advantages and extensive promising possibilities. Herein, we designed and screened a series of stable and metallic two-dimensional (2D) polyoxometalate–metalloporphyrin organic frameworks (TM–PMOFs, TM in porphyrin = Fe, Co, Ni, Cu, Zn, Ru, Rh, Pd, Os, Ir, or Pt) constructed by linking reductive Lindqvist-type hexamolybdate ([Mo6]2e/2H) with 4-connected tetra-(4-aminophenyl) metalloporphyrin (TM-TAPP) building structs through the MoN triple bond, whose CO2 electrochemical reduction performances and processes are studied in detail by means of density functional theory (DFT). Our computations reveal that the Lindqvist-type clusters [Mo6]2e/2H act as multi-electron regulators for the reduction reaction, and then the most promising catalyst for the reduction from CO2 to CH4 has the lowest theoretical driven potential (0.41 V). Moreover, the [Mo6]2e/2H units inside are easily reduced from the [Mo6] with a driven potential (0.08 V). Our work will encourage more experimental studies to further explore metallic 2D PMOF materials for CO2 electrochemical reduction.

Anisotropic Janus SiP2 Monolayer as a Photocatalyst for Water Splitting

Abstract: The design of materials meeting the rigorous requirements of photocatalytic water splitting is still a challenge. Anisotropic Janus 2D materials exhibit great potential due to outstandingly high photocatalytic efficiency. Unfortunately, these materials are scarce. By means of ab initio swarm-intelligence search calculations, we identify a SiP2 monolayer with Janus structure (i.e., out-of-plane asymmetry). The material turns out to be semiconducting with an indirect band gap of 2.39 eV enclosing the redox potentials of water. Notably, the oxygen and hydrogen evolution half reactions can happen simultaneously at the Si and P atoms, respectively, driven merely by the radiation-induced electrons and holes. The carrier mobility is found to be anisotropic and high, up to 10-4 cm2 V-1 s-1, facilitating fast transport of the photogenerated carriers. The SiP2 monolayer shows remarkably strong optical absorption in the visible-to-ultraviolet range of the solar spectrum, ensuring efficient utilization of the solar energy.

Rational Catalyst and Electrolyte Design for Co2 Electroreduction Towards Multicarbon Products

Abstract: CO2 electroreduction reaction (CO2RR) to fuels and feedstocks is an attractive route to close the anthropogenic carbon cycle and store renewable energy. The generation of more reduced chemicals, especially multicarbon oxygenate and hydrocarbon products (C2+) with higher energy density is highly desirable for industrial applications. However, selective conversion of CO2 to C2+ suffers from high overpotential, low reaction rate and low selectivity, and the process is extremely sensitive to the catalyst structure and electrolyte. Here we discuss strategies to achieve high C2+ selectivity through rational design of the catalyst and electrolyte. Current state-of-the-art catalysts, including Cu and Cu-bimetallic catalysts as well as alternative materials are considered. The importance of taking into consideration the dynamic evolution of the catalyst structure and composition are highlighted, focusing on findings extracted from in situ and operando characterizations. Additional theoretical insight into the reaction mechanisms underlying the improved C2+ selectivity of specific catalyst geometries/compositions in synergy with a well-chosen electrolyte are also provided.

Black Phosphorus Field-effect Transistors

Abstract: Two-dimensional crystals have emerged as a class of materials that may impact future electronic technologies. Experimentally identifying and characterizing new functional two-dimensional materials is challenging, but also potentially rewarding. Here, we fabricate field-effect transistors based on few-layer black phosphorus crystals with thickness down to a few nanometres. Reliable transistor performance is achieved at room temperature in samples thinner than 7.5 nm, with drain current modulation on the order of 10(5) and well-developed current saturation in the I-V characteristics. The charge-carrier mobility is found to be thickness-dependent, with the highest values up to ∼ 1,000 cm(2) V(-1) s(-1) obtained for a thickness of ∼ 10 nm. Our results demonstrate the potential of black phosphorus thin crystals as a new two-dimensional material for applications in nanoelectronic devices.

2D metal-organic framework-based materials for electrocatalytic, photocatalytic and thermocatalytic applications.

Abstract: Ultrathin two-dimensional metal-organic frameworks (2D MOFs) have recently attracted extensive interest in various catalytic fields (e.g., electrocatalysis, photocatalysis, thermocatalysis) due to their ultrathin thickness, large surface area, abundant accessible unsaturated active sites and tunable surface properties. Besides tuning the intrinsic properties of pristine 2D MOFs by changing the metal nodes and organic ligands, one of the hot research trends is to develop 2D MOF hybrids and 2D MOF-derived materials with higher stability and conductivity in order to further increase their activity and durability. Here, the synthesis of 2D MOF nanosheets is briefly summarized and discussed. More attention is focused on summaries and discussions about the applications of these 2D MOFs, their hybrids and their derived materials as electrocatalysts, photocatalysts and thermocatalysts. The superior properties and catalytic performance of these 2D MOF-based catalysts compared to their 3D MOF counterparts in electrocatalysis, photocatalysis and thermocatalysis are highlighted. The enhanced activities of 2D MOFs, their hybrids and derivatives come from abundant accessible active sites, a high density of unsaturated metal nodes, ultrathin thickness, and tunable microenvironments around the MOFs. Views regarding current and future challenges in the field, and new advances in science and technology to meet these challenges, are also presented. Finally, conclusions and outlooks in this field are provided.

Porous organic polymers for electrocatalysis.

Abstract: Porous organic polymers (POPs) composed of organic building units linked via covalent bonds are a class of lightweight porous network materials with high surface areas, tuneable pores, and designable components and structures. Owing to their well-preserved characteristics in terms of structure and composition, POPs applied as electrocatalysts have shown promising activity and achieved considerable advances in numerous electrocatalytic reactions, including the hydrogen evolution reaction, oxygen evolution reaction, oxygen reduction reaction, CO2 reduction reaction, N2 reduction reaction, nitrate/nitrite reduction reaction, nitrobenzene reduction reaction, hydrogen oxidation reaction, and benzyl alcohol oxidation reaction. Herein, we present a systematic overview of recent advances in the applications of POPs in these electrocatalytic reactions. The synthesis strategies, specific active sites, and catalytic mechanisms of POPs are summarized in this review. The fundamental principles of some electrocatalytic reactions are also concluded. We further discuss the current challenges of and perspectives on POPs for electrocatalytic applications. Meanwhile, the possible future directions are highlighted to afford guidelines for the development of efficient POP electrocatalysts.