4.6 Article

The potential of 2D carbon nitride monolayer as an efficient adsorbent for capturing mercury: A DFT study

Related references

Note: Only part of the references are listed.
Article Mathematics, Applied

Artificial neural networking (ANN) analysis for heat and entropy generation in flow of non-Newtonian fluid between two rotating disks

Tie-Hong Zhao et al.

Summary: Mixed convection is a heat transport mechanism in thermodynamic systems that involves the motion of fluid particles influenced by both gravity and external forces. This study focuses on the mixed convective flow of Ree-Eyring fluid between two rotating disks, considering the effects of porosity and velocity slip. The energy equation is modeled with various factors such as heat generation/absorption, dissipation, radiative heat flux, and Joule heating. The results obtained are compared with previous studies, showing good agreement. Interesting physical phenomena such as skin friction and heat transfer are also numerically calculated.

MATHEMATICAL METHODS IN THE APPLIED SCIENCES (2023)

Article Materials Science, Multidisciplinary

Enhanced microwave absorption property of silver decorated biomass ordered porous carbon composite materials with frequency selective surface incorporation

Yi Liu et al.

Summary: Silver coated porous carbon (Ag@PC) was successfully synthesized using a one-step hydrothermal synthesis process with fir as a biomass formwork. The metallic Ag particles were evenly distributed in the pores, accelerating graphitization process of the amorphous carbon. The Ag@PC composite without PVP exhibited higher dielectric constant and better electromagnetic wave dissipating capability. Combining with FSS further improved the EM wave absorbing performance.

INTERNATIONAL JOURNAL OF MINERALS METALLURGY AND MATERIALS (2023)

Article Materials Science, Multidisciplinary

Benzothiazole derivatives-based supramolecular assemblies as efficient corrosion inhibitors for copper in artificial seawater: Formation, interfacial release and protective mechanisms

Zining Liu et al.

Summary: Host-guest assemblies of beta-cyclodextrin (beta-CD) loaded with 2-mercaptobenzothiazole (MBT) or 2-aminobenzothiazole (ABT) were used to distinguish their anticorrosive mechanisms for copper in aqueous phase. The protective efficacies were evaluated and MBT and ABT showed optimal inhibition efficiencies of 95.6% and 89.2% respectively using cathodic-dominated mixed-type inhibition mechanism at a dosage of 0.5 g/L. The differentiated inhibition behaviors were attributed to varied guest release mechanisms and different bonding strengths of Cu-S and Cu-N, as supported by theoretical simulations.

CORROSION SCIENCE (2023)

Article Materials Science, Multidisciplinary

Ambient-stable polyethyleneimine functionalized Ti3C2TX nanohybrid corrosion inhibitor for copper in alkaline electrolyte

Yuxin Liu et al.

Summary: In this study, it was found that decorating polyethyleneimine (PEI) on Ti3C2TX could solve its oxidation problem in aqueous solutions. The functionalized Ti3C2TX with PEI exhibited excellent corrosion inhibition for copper in 0.5 M NaOH solution. The Ti-N bond formed by Coulomb attraction was responsible for the grafting of PEI. The anchored polymer chain effectively capped the oxidation-sensitive defects on Ti3C2TX, leading to improved colloidal stability. When the mass ratio of PEI/Ti3C2TX reached 0.33 (M@0.33P), the aqueous dispersion showed robust shelf-life for 30 days at 25 degrees C. M@nP acted as a mixed-type inhibitor with dominant anodic effect for copper in NaOH solutions, and M@0.33P was the optimal prototype that further mitigated copper dissolution. The protective mechanism of M@nP for copper in alkaline electrolyte involved reduction of interfacial cupric/cuprous species by Ti3C2TX, electrostatic adsorption, and electrons sharing of PEI.

MATERIALS LETTERS (2023)

Article Optics

Hybrid metasurface using graphene/graphitic carbon nitride heterojunctions for ultrasensitive terahertz biosensors with tunable energy band structure

Haiyun Yao et al.

Summary: In this study, three THz biosensors were developed by combining dielectric metasurface with graphene, graphitic carbon nitride, and heterojunction for the detection of casein molecules. These biosensors demonstrated the capability of detecting casein molecules at low concentration and multi-dimensional sensing. The incorporation of protein molecules altered the energy band structure and conductivity of the active layer through the electrostatic doping effect.

PHOTONICS RESEARCH (2023)

Article Engineering, Environmental

Innovative and green utilization of zinc-bearing dust by hydrogen reduction: Recovery of zinc and lead, and synergetic preparation of Fe/C micro-electrolysis materials

Zhengqi Guo et al.

Summary: Up to 80 million tons of zinc-bearing dusts are discharged by the steel industry annually. The traditional pyrometallurgy process for recycling these wastes has high energy consumption and carbon emissions. This study proposes a novel method of hydrogen reduction to recover zinc and lead and produce iron-carbon micro-electrolysis (ICME) materials for wastewater treatment. The results show that under optimal conditions, the zinc and lead removal degree of zinc-bearing dusts pellets reaches 96.8% and 71.1%, respectively, and the prepared ICME materials can efficiently remove COD from wastewater.

CHEMICAL ENGINEERING JOURNAL (2023)

Article Nanoscience & Nanotechnology

Supramolecular Nonwoven Materials via Thermally Induced Precursor Crystallization of Nanocrystalline Fibers/Belts for Recyclable Air Filters

Senjie Dong et al.

Summary: A thermally induced precursor crystallization approach is used to prepare high-performance and recyclable supramolecular nonwovens, which are cost-effective and environmentally friendly.

ACS APPLIED NANO MATERIALS (2023)

Article Energy & Fuels

Heterogeneous oxidative desulfurization of fuels using amphiphilic mesoporous phosphomolybdate-based poly(ionic liquid) over a wide temperature range

Shao-Xu Mao et al.

Summary: Four new types of amphiphilic polyoxometalate-based poly(ionic liquid) (PDB-PMo, PDO-PMo, PDD-PMo and PDH-PMo) were synthesized and investigated for oxidative desulfurization (ODS). Among them, PDD-PMo exhibited high desulfurization rate, reaching 100% at a temperature range of 0-50 degrees C. The introduction of hydrophilic IL monomer was found to be an efficient strategy for constructing amphiphilic polyoxometalate-based poly(ionic liquid) and achieving ultra-deep desulfurization.
Article Agricultural Engineering

Boosting hydrogen production via deoxygenation-sorption-enhanced biomass gasification

Zhao Sun et al.

Summary: Deoxygenation-sorption-enhanced biomass gasification using deoxidizer-decarbonizer materials (xCaO-Fe) has been proposed and experimentally explored, showing significant improvement in efficiency and syngas quality, which can greatly enhance renewable hydrogen production.

BIORESOURCE TECHNOLOGY (2023)

Article Construction & Building Technology

Establishing a 3D aggregates database from X-ray CT scans of bulk concrete

Mingzhi Wang et al.

Summary: This study proposes a computational sequence to extract individual 3D concrete aggregates from computed tomography scans, establishing a database of 1442 aggregates with detailed information. Comparisons with existing reconstruction methods demonstrate that characterizing concrete composite with detailed information of each constituent can provide a more realistic representation of the composite. The vision of digital concrete with realistic aggregates input is further demonstrated through an example application.

CONSTRUCTION AND BUILDING MATERIALS (2022)

Article Mathematics, Applied

Almost sectorial operators on ψ-Hilfer derivative fractional impulsive integro-differential equations

Kulandhivel Karthikeyan et al.

Summary: This paper focuses on the existence results of psi-Hilfer fractional impulsive integro-differential equations with almost sectorial operators, proving mild solutions using the Schauder fixed-point theorem and measure of noncompactness. Two cases of operators associated semigroup are discussed, along with an abstract application via Hilfer fractional derivative system to verify the results.

MATHEMATICAL METHODS IN THE APPLIED SCIENCES (2022)

Article Chemistry, Physical

Edge stabilities, properties and growth kinetics of graphene-like two dimensional monolayers composed with Group 15 elements

Ruiqi Zhao et al.

Summary: In this study, researchers systematically studied the edge stabilities of two-dimensional monolayer films constructed from beta-phase P, As, Sb, and Bi. The results showed that the zigzag edge with dangling atoms is the most stable for free-standing films, while the pristine AC edge is the most stable for Bi. Buckles have no apparent influence on the edge stabilities in free-standing films but play a significant role when considering underlying metal substrates.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

Article Mathematics

Fractional-Order Discrete-Time SIR Epidemic Model with Vaccination: Chaos and Complexity

Zai-Yin He et al.

Summary: This research presents a new fractional-order discrete-time susceptible-infected-recovered (SIR) epidemic model with vaccination and examines its dynamical behavior analytically and numerically. It is verified that the introduced fractional discrete SIR epidemic model with both commensurate and incommensurate fractional orders exhibits chaotic behavior. The discrete fractional model displays more complex dynamics for incommensurate fractional orders compared to commensurate fractional orders.

MATHEMATICS (2022)

Article Chemistry, Physical

Metal-organic framework supported Au nanoparticles with organosilicone coating for high-efficiency electrocatalytic N2 reduction to NH3

Hongming He et al.

Summary: The researchers have successfully designed a high-efficient electrocatalyst for nitrogen reduction reaction (NRR) that combines metal-organic frameworks (MOF) with Au nanoparticles (NPs), achieving high NH3 yield and Faradaic efficiency in ambient conditions and water medium.

APPLIED CATALYSIS B-ENVIRONMENTAL (2022)

Article Biophysics

Sensitive and selective electrochemical determination of uric acid in urine based on ultrasmall iron oxide nanoparticles decorated urchin-like nitrogen-doped carbon

Tingfan Tang et al.

Summary: In this study, hypercrosslinked pyrrole was synthesized via the Friedel-Crafts reaction and then carbonized to obtain UNC material. Ultrasmall iron oxide nanoparticles were supported on UNC and used to prepare an electrochemical sensor for detecting uric acid in urine. The sensor exhibited high sensitivity and selectivity and can be used for actual clinical testing of uric acid in urine.

COLLOIDS AND SURFACES B-BIOINTERFACES (2022)

Article Mathematics, Interdisciplinary Applications

Study on Date-Jimbo-Kashiwara-Miwa Equation with Conformable Derivative Dependent on Time Parameter to Find the Exact Dynamic Wave Solutions

Md Ashik Iqbal et al.

Summary: In this article, exact dynamical wave solutions to the Date-Jimbo-Kashiwara-Miwa equation with conformable derivative are constructed using the two-variable G'/G, 1/G-expansion method. The solutions are classified and analyzed, and the effect of the fractional parameter on the solutions is discussed.

FRACTAL AND FRACTIONAL (2022)

Article Chemistry, Physical

Cost-effective mechanochemical synthesis of highly dispersed supported transition metal catalysts for hydrogen storage

Yike Huang et al.

Summary: The research demonstrates a quasi-solid-state template strategy for the synthesis of highly dispersed metal catalysts on nitrogen-doped carbon, successfully applied in MgH2. This method achieves dispersion of metal precursor, evaporation of solvent, downsizing of templates, and successful synthesis of various metal catalysts in a single-step ball-milling process.

NANO ENERGY (2021)

Article Chemistry, Physical

Crossover from Linear Chains to a Honeycomb Network for the Nucleation of Hexagonal Boron Nitride Grown on the Ni(111) Surface

Hongxia Zhu et al.

Summary: The study reveals a key structural transition in the nucleation of h-BN on the Ni(111) surface, affecting its growth process and final morphology. The critical size of nucleation clusters can be controlled by tuning chemical potentials, which is crucial for growth control. Lattice defects increase energy and are unfavorable for growth.

JOURNAL OF PHYSICAL CHEMISTRY C (2021)

Article Chemistry, Multidisciplinary

Quantum chemical study on the adsorption of megazol drug on the pristine BC3 nanosheet

Peilong Xu et al.

Summary: By utilizing density functional theory (DFT) computations, it was found that BC3 nanosheets exhibit a significant adsorption trend towards megazol molecules, leading to a decreased HOMO-LUMO gap and enhanced electrical conductivity. This indicates BC3 as a suitable material for megazol detection and electronic sensor applications. Additionally, the adsorption of megazol affects the work function of BC3, making it ideal for function-based sensor detection of megazol.

SUPRAMOLECULAR CHEMISTRY (2021)

Article Mathematics

On multi-step methods for singular fractional q-integro-differential equations

Sayyedeh Narges Hajiseyedazizi et al.

Summary: This paper investigates the existence of solutions for singular fractional q-integro-differential equations using the standard Caputo fractional q-derivative. The research focuses on compact mapping and the Lebesgue dominated theorem to find solutions and prove main results in the context of completely continuous functions. Examples involving graphs, tables, and algorithms are presented to illustrate the theoretical findings.

OPEN MATHEMATICS (2021)

Article Mathematics, Interdisciplinary Applications

Enhancement in Thermal Energy and Solute Particles Using Hybrid Nanoparticles by Engaging Activation Energy and Chemical Reaction over a Parabolic Surface via Finite Element Approach

Yu-Ming Chu et al.

Summary: This report discusses the flow of Powell-Eyring fluid mixed with hybrid nanoparticles over a melting parabolic stretched surface. Flow rheology expressions have been derived under boundary layer theory and transformed into associated ODEs using similarity transformation. The applicability and effectiveness of FEM in solving highly nonlinear problems is demonstrated, showing that the methodology can be easily implemented in MAPLE 18.0.

FRACTAL AND FRACTIONAL (2021)

Article Mathematics, Applied

CONCAVITY AND BOUNDS INVOLVING GENERALIZED ELLIPTIC INTEGRAL OF THE FIRST KIND

Tie-Hong Zhao et al.

Summary: The article provides a sufficient condition for a function to be strictly concave, generalizing recent results. New bounds are also presented for the function.

JOURNAL OF MATHEMATICAL INEQUALITIES (2021)

Article Nanoscience & Nanotechnology

Dual-Phase CsPbCl3-Cs4PbCl6 Perovskite Films for Self-Powered, Visible-Blind UV Photodetectors with Fast Response

Weidong Zhu et al.

ACS APPLIED MATERIALS & INTERFACES (2020)

Article Nanoscience & Nanotechnology

Effects of gas adsorption on electronic and optical properties of palladium-doped graphene: First-principles study

Jian-Ning Zhang et al.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2020)

Article Mathematics, Applied

On some refinements for inequalities involving zero-balanced hypergeometric function

Tie-Hong Zhao et al.

AIMS MATHEMATICS (2020)

Article Mathematics, Applied

INEQUALITIES FOR GENERALIZED TRIGONOMETRIC AND HYPERBOLIC FUNCTIONS WITH ONE PARAMETER

Miao-Kun Wang et al.

JOURNAL OF MATHEMATICAL INEQUALITIES (2020)

Article Nanoscience & Nanotechnology

Enhanced Photoresponsivity of a GaAs Nanowire Metal-Semiconductor-Metal Photodetector by Adjusting the Fermi Level

Xue Chen et al.

ACS APPLIED MATERIALS & INTERFACES (2019)

Article Chemistry, Physical

Adsorption of molecules on C3N nanosheet: A first-principles calculations

A. Bafekry et al.

CHEMICAL PHYSICS (2019)

Article Materials Science, Multidisciplinary

Phase-field simulation for the evolution of solid/liquid interface front in directional solidification process

Yuhong Zhao et al.

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY (2019)

Article Chemistry, Physical

Catalytic CO2 reduction by palladium-decorated silicon-hydride nanosheets

Chenxi Qian et al.

NATURE CATALYSIS (2019)

Article Engineering, Environmental

Fe-modified MnOx/TiO2 as the SCR catalyst for simultaneous removal of NO and mercury from coal combustion flue gas

Shibo Zhang et al.

CHEMICAL ENGINEERING JOURNAL (2018)

Article Physics, Condensed Matter

Anisotropic carrier mobility in single- and bi-layer C3N sheets

Xueyan Wang et al.

PHYSICA B-CONDENSED MATTER (2018)

Article Chemistry, Physical

Repairing single and double atomic vacancies in a C3N monolayer with CO or NO molecules: a first-principles study

Dongwei Ma et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)

Article Materials Science, Multidisciplinary

Monolayer GeS as a potential candidate for NO2 gas sensors and capturers

Shuhong Ma et al.

JOURNAL OF MATERIALS CHEMISTRY C (2018)

Review Engineering, Environmental

Gaseous Heterogeneous Catalytic Reactions over Mn-Based Oxides for Environmental Applications: A Critical Review

Haomiao Xu et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2017)

Article Chemistry, Applied

Simultaneous NO and mercury removal over MnOx/TiO2 catalyst in different atmospheres

Shibo Zhang et al.

FUEL PROCESSING TECHNOLOGY (2017)

Article Materials Science, Multidisciplinary

Computational characterization of monolayer C3N: A two-dimensional nitrogen-graphene crystal

Xiaodong Zhou et al.

JOURNAL OF MATERIALS RESEARCH (2017)

Article Chemistry, Physical

Mercury removal from coal combustion flue gas by modified palygorskite adsorbents

Huan Liu et al.

APPLIED CLAY SCIENCE (2017)

Article Nanoscience & Nanotechnology

Superior Selective CO2 Adsorption of C3N Pores: GCMC and DFT Simulations

Xiaofang Li et al.

ACS APPLIED MATERIALS & INTERFACES (2017)

Article Engineering, Environmental

Mercury Removal by Magnetic Biochar Derived from Simultaneous Activation and Magnetization of Sawdust

Jianping Yang et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2016)

Article Chemistry, Physical

A Novel Aluminum-Graphite Dual-Ion Battery

Xiaolong Zhang et al.

ADVANCED ENERGY MATERIALS (2016)

Article Engineering, Environmental

A study on removal of elemental mercury in flue gas using fenton solution

Yangxian Liu et al.

JOURNAL OF HAZARDOUS MATERIALS (2015)

Article Mathematics, Applied

Monotonicity properties of a function involving the psi function with applications

Tie-Hong Zhao et al.

JOURNAL OF INEQUALITIES AND APPLICATIONS (2015)

Article Mathematics, Applied

Convexity and concavity of the complete elliptic integrals with respect to Lehmer mean

Yu-Ming Chu et al.

JOURNAL OF INEQUALITIES AND APPLICATIONS (2015)

Article Engineering, Environmental

Regenerable Cobalt Oxide Loaded Magnetosphere Catalyst from Fly Ash for Mercury Removal in Coal Combustion Flue Gas

Jianping Yang et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2014)

Article Mathematics, Applied

Sharp bounds for the Neuman mean in terms of the quadratic and second Seiffert means

Yu-Ming Chu et al.

JOURNAL OF INEQUALITIES AND APPLICATIONS (2014)

Article Engineering, Environmental

Experimental study on oxidation of elemental mercury by UV/Fenton system

Fuman Zhan et al.

CHEMICAL ENGINEERING JOURNAL (2013)

Article Engineering, Environmental

Activated coke impregnated with cerium chloride used for elemental mercury removal from simulated flue gas

Shasha Tao et al.

CHEMICAL ENGINEERING JOURNAL (2012)

Review Environmental Sciences

Mercury policy and regulations for coal-fired power plants

Manuela Rallo et al.

ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH (2012)

Article Engineering, Environmental

Electrospun metal oxide-TiO2 nanofibers for elemental mercury removal from flue gas

Yuan Yuan et al.

JOURNAL OF HAZARDOUS MATERIALS (2012)

Article Materials Science, Multidisciplinary

A fast and robust algorithm for Bader decomposition of charge density

Graeme Henkelman et al.

COMPUTATIONAL MATERIALS SCIENCE (2006)

Article Engineering, Chemical

Novel sorbents for mercury removal from flue gas

EJ Granite et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2000)