4.5 Article

An ab-initio investigation of transition metal-doped graphene quantum dots for the adsorption of hazardous CO2, H2S, HCN, and CNCl molecules

Related references

Note: Only part of the references are listed.
Article Biochemistry & Molecular Biology

A foundational theoretical Al12E12 (E = N, P) adsorption and quinolone docking study: cage-quinolone pairs, optics and possible therapeutic and diagnostic applications

Zakir Ullah et al.

Summary: This study investigates the potential of Al12E12 (E= N, P) nanoclusters for prospective potential probing and therapy. The adsorption behaviors and docking involving SARS-CoV-2 viruses were studied, revealing the pharmaceutical potential of AlN-MQ and AlP-MQI for inhibiting the virus. Furthermore, the decrease in hardness of the nanoclusters when adsorbed with drug molecules indicates an increase in reactivity of the drug in the resulting complex.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2023)

Article Biochemical Research Methods

Adsorption free energy of phenol onto coronene: Solvent and temperature effects

Alhadji Malloum et al.

Summary: Molecular modeling can accelerate the discovery of high adsorption capacity materials for wastewater treatment. However, there are limitations in reproducing experimental conditions, especially in handling solvent effects and temperature effects. This study improved on these limitations by investigating the adsorption of phenol onto coronene. The results showed that after considering solvent and temperature effects, the adsorption free energy was -1.3 kcal/mol at room temperature, more negative at low temperatures, and positive above 360 K.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2023)

Article Chemistry, Physical

Unlocking the potential of ovalene: A dual-purpose sensor and drug enhancer

Zakir Ullah et al.

Summary: Using DFT and TD-DFT methods, the adsorption and non-covalent interactions of HMF on Ovalene surface were investigated. The results show that the solvent has a significant impact on the binding complex geometry and stability. The formation of intermolecular interaction forces was monitored through the formation of bond critical points and ring critical points. The docking study revealed that the HMF-Ovalene complex has a higher binding affinity compared to the isolated HMF drug molecule.

JOURNAL OF MOLECULAR LIQUIDS (2023)

Article Engineering, Electrical & Electronic

Computational study on nickel doped encapsulated Mg, K, Ca on pristine C24 nanocage for gas sensing applications

Adanna D. Nwagu et al.

Summary: Intense attention has been given to environmental sustainability due to high greenhouse gas emissions. This study focuses on the adsorption and sensing properties of nickel-doped encapsulated Mg, K, Ca on pristine C24 nanocage for CO2, NO2, and SO2 gases using density functional theory (DFT) method. Two adsorption models were designed based on the shape of the gas molecules, and various factors including adsorption energy, electronic properties, weak interactions, dipole moment, and reusability were considered. The results provide comprehensive reference for the selectivity of the adsorbents' modification towards the effective sensing of these toxic gases. The encapsulation of K, Ca, Mg, and late transition metal dopant enhances the adsorbents, leading to improved surface properties.

MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING (2023)

Article Chemistry, Multidisciplinary

Cyclo[18]carbon as a Hazardous Gas Scavenger: Effect of Boron and Nitrogen Doping on Molecular Adsorption

Shardul Vadalkar et al.

Summary: In this study, the adsorption performance of Boron and Nitrogen doped C-18 nanoclusters (C17X: X=B,N) towards CO, NO, and NH3 gases was investigated using first principles calculations. The structural, electronic, and sensing properties of C17X nanoclusters were studied to understand their sensing behavior. The interaction of C17B nanocluster with CO, NO, and NH3 molecules result in chemical adsorption, while for C17N, physisorption is observed with CO and NH3, and chemisorption is observed with NO gas molecule. The adsorption energy order is CO (-1.41 eV) > NH3 (-1.81 eV) > NO (-2 eV) for C17B, and CO (-0.15 eV) > NH3 (-0.25 eV) > NO (-1.32 eV) for C17N. The long recovery time of C17B nanocluster makes it suitable for removal applications, while the shorter recovery time of C17N nanocluster is suitable for sensor applications.

CHEMISTRYSELECT (2023)

Article Thermodynamics

HOMO-LUMO energy gaps of complexes of transition metals with single and multi-ring aromatics

Nikolaos Kateris et al.

Summary: This study investigates the binding energies and HOMO-LUMO energy gaps of metal-aromatic complexes using density functional theory calculations. The results show that the binding of metals with aromatic compounds can significantly reduce their energy gaps.

COMBUSTION AND FLAME (2023)

Article Polymer Science

MB11N12 (M = Fe-Zn) Nanocages for Cyanogen Chloride Detection: A DFT Study

Adilson Luis Pereira Silva et al.

Summary: The development of sensors for hazardous gases based on metal-modified B12N12 nanocages has attracted attention. In this study, the interactions between CNCl toxic gas and pristine and MB11N12 (M = Fe, Co, Ni, Cu, and Zn) nanocages were evaluated using density functional theory (DFT). The results showed that doping reduced the energy band gap (E-gap), with the strongest interaction observed on FeB11N12 and CoB11N12 nanocages. NiB11N12 and CuB11N12 nanocages exhibited the highest electronic sensitivity for CNCl gas adsorption, making them superior sensor materials for detecting CNCl toxic gas.

JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS (2023)

Article Chemistry, Physical

Adsorption mechanism of AsH3 pollutant on metal-functionalized coronene C24H12-X (X = Mg, Al, K) quantum dots

Ernest C. Agwamba et al.

Summary: This study investigates the nanosensing efficacy of metal-decorated coronene quantum dot surface for trapping AsH3 gas and effectively detecting its presence to reduce the health risks. The results show that potassium and aluminum decoration enhances the adsorption process with moderate stability. This research emphasizes the importance of developing efficient sensing devices for detecting toxic gases like AsH3.

CHEMICAL PHYSICS IMPACT (2023)

Article Multidisciplinary Sciences

Metals (Ga, In) decorated fullerenes as nanosensors for the adsorption of 2,2-dichlorovinyldimethylphosphate agrochemical based pollutant

Michael A. A. Akpe et al.

Summary: This study focuses on developing an efficient sensor for detecting and addressing DDVP contamination using fullerene carbon materials. The sensor's performance is enhanced by doping it with gallium and indium metals, and the adsorption of DDVP at the chlorine and oxygen sites is carefully examined using first-principles density functional theory (DFT). The findings demonstrate that the metal-decorated surfaces adsorbed on the oxygen site offer high sensitivity for detecting the organophosphate molecule DDVP.

SCIENTIFIC REPORTS (2023)

Article Thermodynamics

Morphology and electronic properties of incipient soot by scanning tunneling microscopy and spectroscopy

Stefano Veronesi et al.

Summary: In this study, the morphological and electronic properties of incipient soot particles formed during combustion were investigated using STM and STS techniques. The results revealed the size and semiconductor behavior of the incipient soot particles.

COMBUSTION AND FLAME (2022)

Article Chemistry, Multidisciplinary

An Ab-initio Study of the C18 nanocluster for Hazardous Gas Sensor Application

Shardul Vadalkar et al.

Summary: In this study, the adsorption performance of CO, NO, and NH3 gases on C-18 nanocluster was investigated using density functional theory (DFT) calculation. It was found that CO and NO molecules chemisorbed onto C-18, while NH3 molecule physisorbed. The decrease in HOMO-LUMO gap after adsorption resulted in increased conductivity, indicating the potential of C-18 nanocluster as a sensor. The fast recovery time of C-18 nanocluster for CO and NO adsorption makes it a portable and low-cost gas sensor option.

CHEMISTRYSELECT (2022)

Article Chemistry, Physical

Adsorption performance of C12, B6N6 and Al6N6 nanoclusters towards hazardous gas molecules: A DFT investigation for gas sensing and removal application

Saurav Patel et al.

Summary: In this study, the adsorption mechanisms and sensing properties of C-12, B6N6, and Al6N6 nanoclusters towards toxic gas molecules were analyzed using density functional theory. The results indicate that these nanoclusters can be used for designing and developing promising gas sensor devices.

JOURNAL OF MOLECULAR LIQUIDS (2022)

Article Nanoscience & Nanotechnology

Theoretical study of hydrogen adsorption on the graphene quantum dots doped with various first row transition metals: Switch of spin state as a way to improve H2 adsorption

Michal Malcek et al.

Summary: With the rapid increase in population, hydrogen energy has become one of the most promising candidates to replace fossil fuels. Research has shown that graphene quantum dots doped with iron are the most promising material for hydrogen capture, while manganese- and chromium-doped GQDs also show potential as effective hydrogen adsorbents.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2022)

Article Chemistry, Physical

Investigation of the adsorption of a DNA based purine derivative on N/B-doped coronene and coronene by means of DFT and NCI interaction analysis

Jamelah S. Al-Otaibi et al.

Summary: The adsorption behavior of 2-amino-1,7-dihydropurin-6-one (ADO) on boron and nitrogen doped coronene was investigated using density functional theory (DFT) and time-dependent DFT simulations. The results showed that the coronene sheet acted as an electron acceptor, while the nucleophilic part of ADO acted as an electron donor, leading to intermolecular interaction in the reactive region. All the doped complexes except coronene exhibited negative Gibbs free energy changes upon ADO adsorption. The nitrogen-doped complex with ADO showed the highest stability, with a binding energy of -284.13 kcal/mol. Surface enhanced Raman spectroscopy (SERS) analysis revealed enhanced Raman intensity for specific modes of ADO after adsorption.

JOURNAL OF MOLECULAR LIQUIDS (2022)

Article Materials Science, Multidisciplinary

A quantum mechanical prediction of C24 fullerene as a DNA nucleobase biosensor

Sourav Kanti Jana et al.

Summary: The aim of this study is to investigate the interaction between different nucleobases and C-24 fullerene using dispersion corrected density functional theory. The results show that the adsorption energy of adenine is the highest, while uracil is the lowest. Adenine and cytosine have increased interaction energy with the solvent, indicating their potential applications as carriers.

DIAMOND AND RELATED MATERIALS (2022)

Article Chemistry, Analytical

As-Doped h-BN Monolayer: A High Sensitivity and Short Recovery Time SF6 Decomposition Gas Sensor

Yunfeng Long et al.

Summary: This study proposed a two-dimensional nano-composite As-doped h-BN (As-BN) monolayer as a specific sensor for SO2F2. The results showed that the As-BN monolayer exhibited strong adsorption specificity, high sensitivity, and short recovery time for SO2F2 gas molecules.

SENSORS (2022)

Article Chemistry, Physical

Insights on the enhanced nitrogen dioxide sensing using doped boron nitride nanosheets through the quantum chemical studies

Anshul Yadav et al.

Summary: A comprehensive analysis was conducted to study the effect of different dopant atoms on the sensing capacity of boron nitride nanosheets towards NO2 gas. The results showed that Cr/BNNs and Ni/BNNs exhibited greater sensing activity towards NO2 than the other doped BNNs.

CHEMICAL PHYSICS (2022)

Article Chemistry, Physical

Sensing response of novel ?-antimonene nanosheet towards ethyl acetate and isopropyl acetate- A DFT insight

V. Nagarajan et al.

Summary: In this study, e-antimonene nanosheet (e-SbNS) was deployed as a chemical sensor for sensing ethyl acetate and isopropyl acetate molecules at ambient conditions. The structural firmness and electronic properties of e-SbNS were investigated. The findings suggested that e-SbNS can be used as a chemical sensor to detect acetate ester molecules emitted from paint and varnish industries.

CHEMICAL PHYSICS (2022)

Article Chemistry, Physical

DFT study of 6-amino-3-(1-hydroxyethyl) pyridine-2,4-diol (AHP) adsorption on Coronene

Zakir Ullah et al.

Summary: The adsorption of AHP on Corenene and various doped Coronene materials was studied using DFT and TDFT simulations. The AHP-NNP complex was found to be the most stable among the studied systems. Various factors including adsorption energy, charge analysis, and FMO were considered in the study.

JOURNAL OF MOLECULAR LIQUIDS (2022)

Article Chemistry, Physical

Insights into caffeine adsorption on the surface of corannulene: A sensor study

Zakir Ullah et al.

Summary: In this study, a comprehensive computational investigation was conducted to study the physisorption of Caffeine on the surface of Corannulene. Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations were performed to explore the adsorption behavior. The analysis included adsorption energy, charge transfer, frontier molecular orbital analysis, density of states, dipole moment, non-covalent interaction, reduced density gradient (RDG), and UV-Visible spectroscopy, taking into account the solvent effect. The results revealed that the adsorption energy of Caffeine on Corannulene surface was negative, and the energy band gap decreased significantly in the complex formations, accompanied by a wavelength shift in UV-Visible spectrum.

JOURNAL OF MOLECULAR LIQUIDS (2022)

Article Chemistry, Physical

Adsorption of Pyrimidin-2-amine (PA) on Graphene Quantum Dots (GQDs): Non-covalent Interaction Study

Zakir Ullah et al.

Summary: A detailed theoretical study was conducted to investigate the adsorption performance of a novel drug molecule PA on GQD using DFT and TD-DFT simulations. Various parameters, including binding energy, molecular orbitals, charge transfer effect, etc., were analyzed to understand the interaction mechanism between PA and GQD.

JOURNAL OF MOLECULAR LIQUIDS (2022)

Article Chemistry, Physical

Selective detection of F- ion and SO2 molecule: An experimental and DFT study

Zakir Ullah et al.

Summary: A novel Schiff base was synthesized and demonstrated highly selective detection of SO2 molecule and F ion. The sensor achieved a detection limit below the permissible limit of F concentration in drinking water and showed potential applicability and reusability. Additionally, the Schiff base exhibited excellent binding activity with SARS-CoV-2.

JOURNAL OF MOLECULAR LIQUIDS (2022)

Article Chemistry, Physical

Computational study of Pd-Cd bimetallic crystals: Spectroscopic properties, hirshfeld surface analysis, non-covalent interaction, and sensor activity

Zakir Ullah et al.

Summary: In this study, theoretical simulations were used to investigate the structural properties and sensor activities of Pd-Cd crystals. The intermolecular interactions in the crystals were analyzed by considering intermolecular contacts using Hirshfeld surface methods. Density functional theory (DFT) and time dependent density functional theory (TD-DFT) calculations were employed to predict the crystal structures and their electronic and spectroscopic properties. Charge transfer and distribution were predicted and explored using Mulliken and NBO charge analysis. Additionally, molecular docking studies were conducted to investigate the drugability of the hypothesized crystals against PDB file 6JKV.

JOURNAL OF MOLECULAR LIQUIDS (2022)

Article Chemistry, Physical

Adsorption of Diospyrin on the surface of CC/AlN/AlP/GaN Nanotubes: A DFT investigation

Zakir Ullah et al.

Summary: Density Functional Theory calculations were used to study the adsorption behaviors of Diospyrin on nanostructures. The results showed that Diospyrin has stronger adsorption on AlN and GaN, and adsorption in the aqueous phase is more favorable.

JOURNAL OF MOLECULAR LIQUIDS (2022)

Article Multidisciplinary Sciences

Density functional theory study of Mobius boron-carbon-nitride as potential CH4, H2S, NH3, COCl2 and CH3OH gas sensor

Mohammad Tanvir Ahmed et al.

Summary: This research investigates the different characteristics of Mobius BCN (MBCN) nanoribbon, inspired by the interesting properties of Mobius structure and boron-carbon-nitride (BCN). The study analyzes the structural stability and various properties of MBCN using density functional theory. Moreover, the gas sensing ability of the MBCN structure is examined for several selected gases, indicating its high sensitivity. The results show a strong interaction between MBCN and methanol gas, among the selected gases.

ROYAL SOCIETY OPEN SCIENCE (2022)

Article Chemistry, Multidisciplinary

Probing the Reactions of Thiourea (CH4N2S) with Metals (X = Au, Hf, Hg, Ir, Os, W, Pt, and Re) Anchored on Fullerene Surfaces (C59X)

Hitler Louis et al.

Summary: In this study, the adsorption performances of metal-doped fullerene surfaces on thiourea molecule were investigated using first-principles density functional theory computation. The results showed that the CH4N2S@C59Pt complex exhibited better sensing attributes than its counterparts. Comparative adsorption study and analysis of weak interactions were conducted to provide conclusive scientific evidence. DH density functionals showed better performance in estimating the adsorption energies.

ACS OMEGA (2022)

Proceedings Paper Materials Science, Multidisciplinary

Adsorption of HCN on pristine and Al/Si/P decorated C18 nanocluster: A first principles study

Shardul Vadalkar et al.

Summary: In this study, we investigated the adsorption properties of C18 nanocluster towards HCN molecule and found that the C18Al nanocluster decorated with aluminum is the most suitable candidate for HCN sensor.

MATERIALS TODAY-PROCEEDINGS (2022)

Article Chemistry, Physical

DFT of 5-Fluoro-2-Oxo-1H-Pyrazine-3-Carboxamide (OPC) Adsorption, Spectroscopic, Solvent Effect, and SERS Analysis

Zakir Ullah et al.

Summary: In this study, DFT calculations were used to investigate the adsorption properties of OPC on four fullerene-like nanocages. Various calculations were performed to analyze the relaxed structures of adsorbed OPC on each nanocage. The results show that OPC forms a bond with the nanocage through the interaction between its nucleophilic and electrophilic parts. Additionally, boron-containing nanocages are suggested to be superior drug sensors compared to aluminum-containing nanocages due to their larger fluctuations in bandgap.

JOURNAL OF MOLECULAR LIQUIDS (2022)

Review Nanoscience & Nanotechnology

Nanomaterial-based gas sensors: A review on experimental and theoretical studies

Anshul Yadav et al.

Summary: Gas sensors play a crucial role in various fields, and the discovery of nanomaterials has led to the development of miniaturized sensors with high sensitivity, time response, selectivity, reproducibility, durability, and low cost. Computational studies help researchers understand the complex sensing mechanism and facilitate the development of tailored nanomaterials for gas sensing applications.

MATERIALS EXPRESS (2022)

Article Chemistry, Multidisciplinary

An Ab-initio Study of the C-18 nanocluster for Hazardous Gas Sensor Application

Shardul Vadalkar et al.

Summary: The interaction mechanism between CO, NO, and NH3 gas molecules with C-18 nanocluster was studied, revealing that C-18 can be used as a fast hazardous gas sensor with promising applications.

CHEMISTRYSELECT (2022)

Article Chemistry, Multidisciplinary

The Adsorption of H2 and C2H2 on Ge-Doped and Cr-Doped Graphene Structures: A DFT Study

Yiming Liao et al.

Summary: The study investigated the adsorption structures of intrinsic graphene, Ge-doped graphene, and Cr-doped graphene to H-2 and C2H2 gas molecules, finding that the CrG system exhibited superior adsorption performances, especially towards C2H2 gas. The Cr-doped graphene showed the highest adsorption energy and shortest adsorption distance, indicating its promising potential in the field of C2H2 gas-sensing detection.

NANOMATERIALS (2021)

Article Materials Science, Multidisciplinary

2D β-tellurene: Increase sensitivity toward toxic cyanide molecules

Yifan Rao et al.

Summary: This study reports the sensitivity and selectivity of β-tellurene towards cyanide gases, with results indicating high efficiency in detecting cyanide gases. Changes in I-V curves caused by gas adsorption further confirm the selectivity and sensitivity of tellurene to cyanide gases, especially HCN. Different biaxial strains can effectively regulate the adsorption behavior of cyanide gases on tellurene.

VACUUM (2021)

Article Chemistry, Multidisciplinary

In-plane graphene/boron nitride heterostructures and their potential application as toxic gas sensors

Jannatul Mawwa et al.

Summary: The synthesized graphene/hexagonal boron nitride heterostructures exhibit good structural stability and high adsorption energy, making them more sensitive to SO2 gas compared to CO gas.

RSC ADVANCES (2021)

Article Chemistry, Physical

Hydrogen adsorption on pristine and platinum decorated graphene quantum dot: A first principle study

Vaishali Sharma et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2020)

Article Spectroscopy

Utilization of doped GQDs for ultrasensitive detection of catastrophic melamine: A new SERS platform

Vaishali Sharma et al.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2020)

Article Chemistry, Physical

A selective NO sensor based on the semiconducting BC2N nanotubes: a computational study

Yongqiu Liu et al.

MOLECULAR PHYSICS (2020)

Article Chemistry, Physical

An ab initio study of the B35 boron nanocluster for application as atmospheric gas () sensor

Md. Arafat Hossain et al.

CHEMICAL PHYSICS LETTERS (2020)

Article Chemistry, Physical

Different elements doped graphene sensor for CO2 greenhouse gases detection: The DFT study

Ziqiao Zheng et al.

CHEMICAL PHYSICS LETTERS (2019)

Article Physics, Condensed Matter

Adsorption mechanism of hydrogen sulfide and sulfur dioxide on Au-MoS2 monolayer

Yingang Gui et al.

SUPERLATTICES AND MICROSTRUCTURES (2019)

Article Polymer Science

First-Principles Insights on Acetone Vapor Manganese Ferrite Solid Surface Interactions

V. Nagarajan et al.

JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS (2018)

Article Engineering, Electrical & Electronic

First-principles investigation on transport properties of Zn2SnO4 molecular device and response toward NO2 gas molecules

V. Nagarajan et al.

JOURNAL OF COMPUTATIONAL ELECTRONICS (2018)

Article Chemistry, Physical

Adsorption of cyanogen chloride on the surface of boron nitride nanotubes for CNCl sensing

Tayebeh Movlarooy et al.

CHEMICAL PHYSICS LETTERS (2018)

Article Chemistry, Physical

Controlled Pore Sizes in Monolayer C2N Act as Ultrasensitive Probes for Detection of Gaseous Pollutants (HF, HCN, and H2S)

Kalishankar Bhattacharyya et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

Article Materials Science, Multidisciplinary

Study on the electronic structure of Cr- and Ni-doped fullerenes upon adsorption of adenine: A comprehensive DFT calculation

Ali Shokuhi Rad et al.

DIAMOND AND RELATED MATERIALS (2017)

Article Biochemistry & Molecular Biology

Solvent effect on molecular structure, IR spectra, thermodynamic properties and chemical stability of zoledronic acid: DFT study

Qingzhu Liu et al.

JOURNAL OF MOLECULAR MODELING (2016)

Article Chemistry, Physical

NO adsorption studies on silicene nanosheet: DFT investigation

R. Chandiramouli et al.

APPLIED SURFACE SCIENCE (2015)

Article Engineering, Environmental

An approach for estimating toxic releases of H2S-containing natural gas

Zhang Jianwen et al.

JOURNAL OF HAZARDOUS MATERIALS (2014)

Article Materials Science, Multidisciplinary

Understanding dopant and defect effect on H2S sensing performances of graphene: A first-principles study

Yong-Hui Zhang et al.

COMPUTATIONAL MATERIALS SCIENCE (2013)

Article Biochemistry & Molecular Biology

Non-covalent interactions - QTAIM and NBO analysis

Sawomir J. Grabowski

JOURNAL OF MOLECULAR MODELING (2013)

Article Chemistry, Multidisciplinary

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

Article Chemistry, Analytical

Carbon dioxide gas sensor using a graphene sheet

Hyeun Joong Yoon et al.

SENSORS AND ACTUATORS B-CHEMICAL (2011)

Article Biochemical Research Methods

Gas sensing properties of platinum derivatives of single-walled carbon nanotubes: A DFT analysis

P. Pannopard et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2009)

Article Chemistry, Multidisciplinary

cclib: A library for package-independent computational chemistry algorithms

Noel M. O'Boyle et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)

Review Nanoscience & Nanotechnology

Recent progress in carbon nanotube-based gas sensors

Ting Zhang et al.

NANOTECHNOLOGY (2008)

Article Chemistry, Physical

Ab initio study of CNT NO2 gas sensor

S Peng et al.

CHEMICAL PHYSICS LETTERS (2004)