School of Chemistry and Chemical Engineering

  • 39 Stranmillis Road, David Keir Building

    BT9 5AG Belfast

    United Kingdom

Research Output 1981 2020

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2018
197 Downloads (Pure)

Combined use of geophysical and geochemical methods to assess areas of active, degrading and restored blanket bog

McAnallen, L., Doherty, R., Donohue, S., Kirmizakis, P. & Mendonça, C., 15 Apr 2018, In : Science of the Total Environment. 621, p. 762-771 10 p.

Research output: Contribution to journalArticle

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blanket bog
geochemical method
geophysical method
Peat
peat
5 Citations (Scopus)
104 Downloads (Pure)

Confinement Effects on the Benzene Orientational Structure

Falkowska, M., Bowron, D. T., Manyar, H., Youngs, T. G. A. & Hardacre, C., 16 Apr 2018, In : Angewandte Chemie - International Edition. 57, 17, p. 4565-4570 6 p.

Research output: Contribution to journalArticle

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Benzene
Molecules
Liquids
Chemical reactivity
Multicarrier modulation
2 Citations (Scopus)
123 Downloads (Pure)

Conformationally Programmable Chiral Foldamers with Compact and Extended Domains Controlled by Monomer Structure

Lockhart, Z. & Knipe, P., 09 Jul 2018, In : Angewandte Chemie International Edition. 57, 28, p. 8478-8482

Research output: Contribution to journalArticle

Open Access
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Conformations
Monomers
Crystallography
Macromolecules
Peptides

Cover Picture: Highly Selective Reduction of α, β‐Unsaturated Aldehydes and Ketones under Ambient Conditions using Tetraalkylphosphonium‐based Ionic Liquids

Ralphs, K., McCourt, E., Ormandy, C., Carneiro de Souza, T. A., Nockemann, P., Jacquemin, J. & Manyar, H., 09 Nov 2018, In : ChemistrySelect.

Research output: Contribution to journalArticle

44 Downloads (Pure)

Designing Dimeric Lanthanide(III)-Containing Ionic liquids

Nockemann, P., Felton, S., Esien, K. & McCourt, E., 24 Sep 2018, In : Angewandte Chemie International Edition.

Research output: Contribution to journalArticle

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Ionic Liquids
Lanthanoid Series Elements
Rare earth elements
Ionic liquids
Magnetic variables measurement
5 Citations (Scopus)
105 Downloads (Pure)

Designing effective homogeneous catalysis for glycerol valorisation: selective synthesis of a value-added aldehyde from 1,3-propanediol via hydrogen transfer catalysed by a highly recyclable, fluorinated Cp*Ir(NHC) catalyst

Ma, Y., Wang, Y., Morgan, P. J., Jackson, R. E., Liu, X., Saunders, G., Lorenzini, F. & Marr, A. C., Jun 2018, In : Catalysis Today. 307, p. 248-259 12 p.

Research output: Contribution to journalArticle

Open Access
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Ionic Liquids
Aldehydes
Glycerol
Ionic liquids
Catalysis
11 Citations (Scopus)
51 Downloads (Pure)
Open Access
File
3 Citations (Scopus)
79 Downloads (Pure)

Development of amphiphilic block copolymers as silica optical fiber overlayers for BSA protein detection

Petropoulou, A., Gibson, T. J., Themistou, E., Pispas, S. & Riziotis, C., 01 Sep 2018, In : Materials Chemistry and Physics. 216, p. 421-428

Research output: Contribution to journalArticle

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Bovine Serum Albumin
block copolymers
albumins
Silicon Dioxide
serums
3 Citations (Scopus)

DFT+ U Study on Catalysis by Co3O4: Influence of U Value and a Surface-Bulk Bi- U Strategy

Hu, W., Cao, X. & Hu, P., 30 Aug 2018, In : The Journal of Physical Chemistry C. 122, 34, p. 19593-19602

Research output: Contribution to journalArticle

Discrete Fourier transforms
Catalysis
catalysis
Oxides
Carbon Monoxide
1 Citation (Scopus)
112 Downloads (Pure)

Draft genome sequences of Pseudomonas putida UV4 and UV4/95, toluene dioxygenaseexpressing producers of cis-1,2-dihydrodiols

Skvortsov, T., Hoering, P., Arkhipova, K., Whitehead, R. C., Boyd, D. R. & Allen, C. C. R., 04 Jan 2018, In : Genome Announcements. 6, 1, p. 1-2 e01419-17.

Research output: Contribution to journalArticle

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Pseudomonas putida
Phenols
Toluene
Alkenes
Biotransformation
1 Citation (Scopus)
63 Downloads (Pure)

Drying and Denaturation Kinetics of Beta-Lactoglobulin during Convective Drying

Haque, M. A., Oliver, M. M. H., Putranto, A. & Adhikari, B., 21 May 2018, In : Journal of Food Engineering.

Research output: Contribution to journalArticle

Open Access
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Lactoglobulins
beta-lactoglobulin
denaturation
drying
kinetics
4 Citations (Scopus)
128 Downloads (Pure)

Durable Flexible Supercapacitors Utilizing the Multifunctional Role of Ionic Liquid

Lorenzo, M. & Srinivasan, G., 01 Jan 2018, In : Energy Technology. 6, 1, p. 196-204

Research output: Contribution to journalArticle

Open Access
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Ionic liquids
Electrodes
Life cycle
Chemical stability
Plasticizers
115 Downloads (Pure)

Efficient extraction of a docosahexaenoic acid (DHA)-rich lipid fraction from Thraustochytrium sp. using ionic liquids

Zhang, Y., Ward, V., Dennis, D., Plechkova, N. V., Armenta, R. & Rehmann, L., 15 Oct 2018, In : Materials. 11, 10, p. 1-11 1986.

Research output: Contribution to journalArticle

Open Access
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Ionic Liquids
Docosahexaenoic Acids
Ionic liquids
Lipids
Acids
138 Downloads (Pure)

Electrochemical Promotion of CO Oxidation on Na-promoted Pt/YSZ: Interaction between Multiple Promoting Species

Poulidi, D. & Stavrakakis, E., 12 Jan 2018, In : Topics in Catalysis. 4 p.

Research output: Contribution to journalArticle

Open Access
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Carbon Monoxide
Oxidation
Catalysts
Sodium
Ions
1 Citation (Scopus)

Enantiopurity and absolute configuration determination of arene cis-dihydrodiol metabolites and derivatives using chiral boronic acids

Boyd, D. R., Sharma, N. D., Goodrich, P. A., Malone, J. F., McConville, G., Harrison, J. S., Stevenson, P. J. & Allen, C. C. R., Jan 2018, In : Chirality. 30, 1, p. 5-18

Research output: Contribution to journalArticle

Boronic Acids
Metabolites
Derivatives
Acids
Alkenes
6 Citations (Scopus)
63 Downloads (Pure)

Ethyne Reducing Metal-Organic Frameworks to Control Fabrications of Core/shell Nanoparticles as Catalysts

Zhang, C., Guo, X., Yuan, Q., Zhang, R., Chang, Q., Li, K., Xiao, B., Liu, S., Ma, C., Liu, X., Xu, Y., Wen, X., Yang, Y. & Li, Y., 20 Jun 2018, In : ACS Catalysis. 8, 8, p. 7120-7130 11 p.

Research output: Contribution to journalArticle

Open Access
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Acetylene
Cobalt
Metals
Nanoparticles
Fabrication
1 Citation (Scopus)
132 Downloads (Pure)

Evaluating the potential of natural surfactants in the petroleum industry: the case of hydrophobins

Blesic, M., Dichiarante, V., Milani, R., Linder, M. & Metrangolo, P., Feb 2018, In : Pure and Applied Chemistry . 90, 2, p. 305-314 10 p.

Research output: Contribution to journalArticle

Open Access
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Petroleum industry
Surface-Active Agents
Oils
Surface active agents
Surface tension
5 Citations (Scopus)
66 Downloads (Pure)

Evaluation of an 'After Opening Freshness (AOF)' label for Packaged Ham

Yusufu, D., Wang, C. & Mills, A., Sep 2018, In : Food Packaging and Shelf Life. 17, p. 107-113

Research output: Contribution to journalArticle

Open Access
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freshness
ham
Labels
Color
Polymers
2 Citations (Scopus)
25 Downloads (Pure)
Open Access
File
Colloids
colloid
Nanoparticles
N-Methyl-3,4-methylenedioxyamphetamine
Naphthalene
9 Citations (Scopus)

Fast continuous alcohol amination employing a hydrogen borrowing protocol

Labes, R., Mateos, C., Battilocchio, C., Chen, Y., Dingwall, P., Cumming, G. R., Rincón, J. A., Nieves-Remacha, M. J. & Ley, S. V., 16 Nov 2018, In : Green Chemistry. 21, 1, p. 59-63 5 p.

Research output: Contribution to journalArticle

Amination
alcohol
Hydrogen
Alcohols
hydrogen
4 Citations (Scopus)

First-Principles Determination of CO Adsorption and Desorption on Pt(111) in the Free Energy Landscape

Guo, C., Wang, Z., Wang, D., Wang, H. & Hu, P., 20 Sep 2018, In : The Journal of Physical Chemistry C. 122, 37, p. 21478-21483

Research output: Contribution to journalArticle

Carbon Monoxide
Free energy
Density functional theory
Desorption
desorption
3 Citations (Scopus)

First-Principles Insight into the Degradation Mechanism of CH3NH3PbI3 Perovskite: Light-Induced Defect Formation and Water Dissociation

Peng, C., Chen, J., Wang, H. & Hu, P., 06 Dec 2018, In : Journal of Physical Chemistry C. 122, 48, p. 27340-27349

Research output: Contribution to journalArticle

Perovskite
dissociation
degradation
Iodine
Degradation
2 Citations (Scopus)
32 Downloads (Pure)

Flow, mixing and heat transfer in fluidic oscillators

Khalde, C. M., Pandit, A. V., Sangwai, J. S. & Ranade, V. V., 2018, In : Canadian Journal of Chemical Engineering .

Research output: Contribution to journalArticle

Open Access
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Fluidics
Heat transfer
Liquids
Separators
Feedback
29 Downloads (Pure)

Fourier transform emission spectroscopy and ab initio calculations on the visible spectrum of AlD+

Szajna, W., Hakalla, R., Moore, K. & Lane, I. C., Dec 2018, In : Journal of Quantitative Spectroscopy & Radiative Transfer. 221, p. 118-128 11 p.

Research output: Contribution to journalArticle

Open Access
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Emission spectroscopy
visible spectrum
Aluminum
Electric lamps
irregularities
3 Citations (Scopus)
78 Downloads (Pure)

Frustrated Lewis pairs in ionic liquids and molecular solvents – a neutron scattering and NMR study of encounter complexes

Brown, L. C., Hogg, J. M., Gilmore, M., Moura, L., Imberti, S., Gärtner, S., Gunaratne, H. Q. N., O'Donnell, R. J., Artioli, N., Holbrey, J. D. & Swadzba-Kwasny, M., 18 Jun 2018, In : Chemical Communications. 54, p. 8689-8692

Research output: Contribution to journalArticle

Open Access
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Ionic Liquids
Neutron scattering
Ionic liquids
Nuclear magnetic resonance
phosphine
14 Citations (Scopus)

Further development of the predictive models for physical properties of pure ionic liquids: Thermal conductivity and heat capacity

Oster, K., Jacquemin, J., Hardacre, C., Ribeiro, A. P. C. & Elsinawi, A., 01 Mar 2018, In : Journal of Chemical Thermodynamics. 118, p. 1-15 15 p.

Research output: Contribution to journalArticle

Thermal conductivity of liquids
Ionic Liquids
Ionic liquids
Specific heat
thermal conductivity
1 Citation (Scopus)
127 Downloads (Pure)
Open Access
File
Growth kinetics
Powders
Binders
Viscosity
Carboxymethylcellulose Sodium
25 Downloads (Pure)
Open Access
File
Ionic Liquids
Liquid metals
Ionic liquids
Oxides
Catalyst activity
12 Citations (Scopus)
110 Downloads (Pure)

Hexamethylenetetramine-mediated growth of grain-boundary-passivation CH3NH3PbI3 for highly reproducible and stable perovskite solar cells

Zheng, Y-Z., Li, X-T., Zhao, E-F., Lv, X-D., Meng, F-L., Peng, C., Lai, X-S., Huang, M., Cao, G., Tao, X. & Chen, J-F., 15 Feb 2018, In : Journal of Power Sources. 377, p. 103-109

Research output: Contribution to journalArticle

Open Access
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Methenamine
hexamethylenetetramine
Passivation
passivity
Grain boundaries
1 Citation (Scopus)
224 Downloads (Pure)
Open Access
File
Ionic Liquids
Ketones
Aldehydes
Reducing Agents
Precious metals
8 Citations (Scopus)
30 Downloads (Pure)

Hydrophobic deep eutectic solvents incorporating trioctylphosphine oxide: Advanced liquid extractants

Gilmore, M., McCourt, E. N., Connolly, F., Nockemann, P., Swadzba-Kwasny, M. & Holbrey, J. D., 26 Oct 2018, In : ACS Sustainable Chemistry & Engineering. 6, 12, p. 17323-17332 10 p.

Research output: Contribution to journalArticle

Open Access
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Eutectics
oxide
liquid
Oxides
Liquids
33 Citations (Scopus)
100 Downloads (Pure)

Identifying the key obstacle in photocatalytic oxygen evolution on rutile TiO2

Wang, D., Sheng, T., Chen, J., Wang, H-F. & Hu, P., 16 Apr 2018, In : Nature Catalysis. 1, 4, p. 291-299 9 p.

Research output: Contribution to journalArticle

Open Access
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Oxygen
Catalyst activity
Water
Kinetics
titanium dioxide
2 Citations (Scopus)
126 Downloads (Pure)

Impact of SCILL catalysts for the S-S coupling of thiols to disulfides

Pavel, O. D., Podolean, I., Parvulescu, V. I., Taylor, S. F. R., Manyar, H. G., Ralphs, K., Goodrich, P. & Hardacre, C., 01 Jan 2018, In : Faraday Discussions. 206, p. 535-547

Research output: Contribution to journalArticle

Open Access
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disulfides
Sulfhydryl Compounds
thiols
Disulfides
Ionic Liquids
5 Citations (Scopus)
95 Downloads (Pure)

Improving the activity and stability of human galactokinase for therapeutic and biotechnological applications

McAuley, M., Mesa-Torres, N., McFall, A., Morris, S., Huang, M., Pey, A. L. & Timson, D. J., 18 May 2018, In : ChemBioChem. 19, 10, p. 1088-1095

Research output: Contribution to journalArticle

Open Access
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Galactokinase
Human Activities
Enzyme Replacement Therapy
Enzymes
Galactosemias
4 Citations (Scopus)

In-depth insights into N2O formation over Rh-and Pt-based LNT catalysts

Castoldi, L., Matarrese, R., Kubiak, L., Daturi, M., Artioli, N., Pompa, S. & Lietti, L., 04 Feb 2018, In : Catalysis Today.

Research output: Contribution to journalArticle

Carbon Monoxide
Catalysts
Metals
Adatoms
Precious metals
1 Citation (Scopus)
93 Downloads (Pure)
Open Access
File
physical factors
Disinfection
reactors
virulence
Biofilms
9 Citations (Scopus)

Insight into the NH3-Assisted Selective Catalytic Reduction of NO on β-MnO2(110): Reaction Mechanism, Activity Descriptor, and Evolution from a Pristine State to a Steady State

Yuan, H., Sun, N., Chen, J., Jin, J., Wang, H. & Hu, P., 05 Oct 2018, In : ACS Catalysis. 8, 10, p. 9269-9279

Research output: Contribution to journalArticle

Selective catalytic reduction
Thyristors
Vacancies
Lewis Acids
Catalysts
5 Citations (Scopus)

Insight into the Superior Catalytic Activity of MnO2 for Low-Content NO Oxidation at Room Temperature

Yuan, H., Chen, J., Guo, Y., Wang, H. & Hu, P., 08 Nov 2018, In : The Journal of Physical Chemistry C. 122, 44, p. 25365-25373

Research output: Contribution to journalArticle

Vacancies
catalytic activity
Catalyst activity
Oxidation
oxidation
6 Citations (Scopus)

Insights into Different Products of Nitrosobenzene and Nitrobenzene Hydrogenation on Pd(111) under Realistic Reaction Conditions

Zhang, L., Shao, Z., Cao, X. & Hu, P., 06 Sep 2018, In : The Journal of Physical Chemistry C. 122, 35, p. 20337-20350

Research output: Contribution to journalArticle

Nitrobenzene
nitrobenzenes
Hydrogenation
hydrogenation
products
7 Citations (Scopus)

Insights into the selective catalytic reduction of NO by NH3 over Mn3O4(110): a DFT study coupled with microkinetic analysis

yang, M., Yuan, H., Wang, H. & Hu, P., 01 Apr 2018, In : Science China Chemistry. 61, 4, p. 457-467

Research output: Contribution to journalArticle

Selective catalytic reduction
Discrete Fourier transforms
Nitric Oxide
Lewis Acids
Catalysts
3 Citations (Scopus)
102 Downloads (Pure)

Intensified crude glycerol conversion to butanol by immobilized Clostridium pasteurianum

Krasňan, V., Plž, M., Marr, A. C., Markošová, K., Rosenberg, M. & Rebros, M., 11 Mar 2018, In : Biochemical Engineering Journal.

Research output: Contribution to journalArticle

Open Access
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Clostridium
Butanols
Butenes
Glycerol
Fermentation
5 Citations (Scopus)
195 Downloads (Pure)

Kinetic Investigation of η-Al2O3 Catalyst for Dimethyl Ether Production

Osman Ahmed, A. I. & Abu-Dahrieh, J., 15 Feb 2018, In : Catalysis Letters. p. 1-10

Research output: Contribution to journalArticle

Open Access
File
Methanol
Ethers
Dehydration
Kinetic parameters
Catalysts
22 Downloads (Pure)

Kinetics of cinnamaldehyde hydrogenation in four phase system

Khan, M., Joshi, S. & Ranade, V., 28 Nov 2018, In : Chemical Engineering Journal.

Research output: Contribution to journalArticle

Open Access
File
Hydrogenation
alcohol
kinetics
Kinetics
aldehyde
3 Citations (Scopus)
125 Downloads (Pure)

Large uniform copper 1,3,5-benzenetricarboxylate metal-organic-framework particles from slurry crystallization and their outstanding CO2 gas adsorption capacity

Xue, C., Wang, E., Feng, L., yuan, Q., Hao, X. & Xiao, B., 01 Jul 2018, In : MICROPOROUS AND MESOPOROUS MATERIALS. 264, p. 190-197

Research output: Contribution to journalArticle

Open Access
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liquid wastes
Gas adsorption
Crystallization
Copper
Metals
40 Citations (Scopus)
161 Downloads (Pure)

Low temperature reforming of biogas over K-, Mg- and Ce-promoted Ni/Al2O3 catalysts for the production of hydrogen rich syngas: Understanding the plasma-catalytic synergy

Zeng, Y. X., Wang, L., Wu, C. F., Wang, J. Q., Shen, B. X. & Tu, X., May 2018, In : Applied Catalysis B: Environmental. 224, p. 469-478 10 p.

Research output: Contribution to journalArticle

Open Access
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Biofuels
Biogas
Reforming reactions
biogas
Hydrogen
5 Citations (Scopus)
50 Downloads (Pure)

Low-Temperature Tailoring of Copper-Deficient Cu3−xP – Electric Properties, Phase Transitions and Performance in Lithium-Ion Batteries

Wolff, A., Doert, T., Hunger, J., Kaiser, M., Pallmann, J., Reinhold, R., Yogendra, S., Giebeler, L., Sichelschmidt, J., Schnelle, W., Whiteside, R., Gunaratne, H. Q. . N., Nockemann, P., Weigand, J. J., Brunner, E. & Ruck, M., 17 Sep 2018, In : Chemistry of Materials. 13 p.

Research output: Contribution to journalArticle

Open Access
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Copper
Electric properties
Phase transitions
Phosphorus
Anions
137 Downloads (Pure)

Mechanism and kinetics of electrocarboxylation of aromatic ketones in ionic liquid

Doherty, A. P., Marley, E., Barhdadi, R., Puchelle, V., Wagner, K. & Wallace, G. G., 2018, In : Journal of Electroanalytical Chemistry. 819, p. 469-473 5 p.

Research output: Contribution to journalArticle

Open Access
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Ionic Liquids
Ketones
Ionic liquids
Anions
Negative ions
126 Downloads (Pure)

Modeling and simulation of a fluidized bed gasifier

Jain, A. A., Mehra, A. & Ranade, V. V., Feb 2018, In : Asia-Pacific Journal of Chemical Engineering. 13, 1, 17 p., e2155.

Research output: Contribution to journalArticle

Open Access
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Fluidized beds
modeling
simulation
Calorific value
Coal
6 Citations (Scopus)
56 Downloads (Pure)
Open Access
File
Hydrodynamics
Cavitation
Pharynx
Equipment and Supplies
Equipment Design
8 Citations (Scopus)

Modelling of down-draft gasification of biomass – An integrated pyrolysis, combustion and reduction process

Diyoke, C., Gao, N., Aneke, M., Wang, M. & Wu, C., 01 Sep 2018, In : Applied Thermal Engineering. 142, p. 444-456 13 p.

Research output: Contribution to journalArticle

Gasification
Biomass
Pyrolysis
Moisture
Air intakes