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  • Babanezhad, Meisam; Nakhjiri, Ali Taghvaie; Marjani, Azam; Shirazian, Saeed (Springer Nature, 2020)
    Many numerical methods have been used to simulate the fluid flow pattern in different industrial devices. However, they are limited with modeling of complex geometries, numerical stability and expensive computational ...
  • Serrano-Claumarchirant, José F.; Culebras, Mario; Muñoz-Espí, Rafael; Cantarero, Andrés; Gómez, Clara M.; Collins, Maurice N. (American Chemical Society, 2020)
    Synthesis of n-type organic semiconductors is challenging as reduced states are difficult to obtain due to their instability in air. Here, we report tailoring of semiconducting behavior through control of surfactant ...
  • Cao, Yan; Khan, Afrasyab; Balakheyli, Hanzaleh; Lup, Andrew Ng Kay; Taghartapeh, Mohammad Ramezani; Mirzaei, Hassan; Khandoozi, Seyed Reza; Soltani, Alireza; Aghaei, Mehrdad; Heidari, Fatemeh; Sarkar, Shaheen M.; Albadarin, Ahmad B. (Elsevier, 2021)
    The adsorption of penicillamine (PCA) on pure B12N12 and B12CaN12 nanocages in aqueous and chloroform solvents has been evaluated using density functional theory (DFT) calculations. The interaction of PCA on B12N12 ...
  • Hant, Steven M.; Attard, George S.; Riddle, Rodney; Ryan, Kevin M. (American Chemical Society, 2005)
    Highly ordered macroporous mixed metal oxides were prepared with very high mixed metal ratios using an optimized silicon alkoxide prehydrolysis process. The homogenous solutions completely filled the interstitial voids in ...
  • Barrett, Christopher A.; Geaney, Hugh; Gunning, Robert D.; Laffir, Fathima R.; Ryan, Kevin M. (Royal Society of Chemistry, 2011)
    High yields of single-crystalline Ge nanowires (NWs) were synthesized through the thermal decomposition of diphenylgermane (DPG) in the vapor phase of a high boiling point organic solvent. The NWs were single crystal and ...
  • Pereira, Joana P.C.; van der Wielen, Luuk A.M.; Straathof, Adrie J.J. (Elsevier, 2018)
    A new approach was studied for bio-based production of methyl propionate, a precursor of methyl methacrylate. Recombinant E. coli cells were used to perform a cascade reaction in which 2-butanol is reduced to butanone using ...
  • Kavanagh, Oisín N.; Croker, Denise M.; Walker, Gavin M.; Zaworotko, Michael J. (Elsevier, 2019)
    The field of pharmaceutical cocrystals has reached a tipping point, particularly because cocrystals can improve the physicochemical properties of drugs without compromising their therapeutic benefit. Accounts of cocrystal ...
  • Mainz, R.; Singh, Ajay; Levcenko, S.; Klaus, M.; Genzel, C.; Ryan, Kevin M.; Unold, T. (Nature Research, 2014)
    In polycrystalline semiconductors, grain boundaries are often sites with prevalence for electron-hole recombination and various strategies have been followed to minimize grain boundary areas. Generally, large grains or ...
  • Khraisheh, Majeda; Wu, Lijun; Al-Muhtaseb, Ala’a H.; Albadarin, Ahmad B.; Walker, Gavin M. (Elsevier, 2012)
    Conventional water purification and disinfection generally involve potentially hazardous substances, some of which known to be carcinogenic in nature. Titanium dioxide photocatalytic processes provide an effective route ...
  • Ge, Peiyu; Olaya, Astrid J.; Scanlon, Micheál D.; Patir, Imren Hatay; Vrubel, Heron; Girault, Hubert H. (Wiley and Sons Ltd, 2013)
    Excitation of the weak electron donor decamethylosmocene on illumination with white light produces an excited‐state species capable of reducing organically solubilized protons under biphasic conditions. Insight into the ...
  • Rivier, Lucie; Peljo, Pekka; Vannay, Laurent A.C.; Gschwend, Grégoire C.; Méndez, Manuel A.; Corminboeuf, Clémence; Scanlon, Micheál D.; Girault, Hubert H. (Wiley, 2017)
    The photo-induced hydrogen evolution reaction (HER) by decamethylruthenocene, Cp2*Ru(II), is reported. The use of a metallocene to photo-produce hydrogen is presented as an alternative strategy to reduce protons without ...
  • Thorat, Nanasaheb D.; Tofail, Syed A.M.; von Rechenberg, Brigitte; Townley, Helen; Brennan, Grace; Silien, Christophe; Yadav, Hemraj M.; Steffen, Thomas; Bauer, Joanna (AIP Publishing, 2019)
    Physically or externally stimulated nanostructures often employ multimodality and show encouraging results at preclinical stage in cancer therapy. Specially designed smart nanostructures such as hybrid nanostructures are ...
  • Stapleton, Aimee (University of Limerick, 2017)
    Piezoelectricity is a particular type of electromechanical coupling in which a mechanical stress induces an electrical polarisation in materials that have a non-centrosymmetric crystal structure. A converse piezoelectric ...
  • Poillot, Philip; O'Donnell, Joseph; O'Connor, David T.; Ul Haq, Ehtsham; Silien, Christophe; Tofail, Syed A.M.; Huyghe, Jacques M. (Springer, 2020)
    Lower back pain is a major global health challenge that can often be caused by degeneration of the Intervertebral Disc (IVD). While IVD biomechanics are a key factor in the degenerative cycle, many mechanotransduction ...
  • O'Donnell, Joseph; Cazade, Pierre-André; Guerin, Sarah; Djeghader, Ahmed; Ul Haq, Ehtsham; Tao, Kai; Gazit, Ehud; Fukada, Eiichi; Silien, Christophe; Soulimane, Tewfik; Thompson, Damien; Tofail, Syed A.M. (Wiley, 2021)
    Controlling the electromechanical response of piezoelectric biological structures including tissues, peptides, and amino acids provides new applications for biocompatible, sustainable materials in electronics and medicine. ...
  • Moynihan, Eoin; Rost, Stefan; O'Connell, Eoghan; Ramasse, Quentin M.; Friedrich, Christoph; Bangert, Ursel (Wiley and Sons Ltd, 2020)
    This paper takes a fundamental view of the electron energy loss spectra of monolayer and few layer MoS2. The dielectric function of monolayer MoS2 is compared to the experimental spectra to give clear criteria for the ...
  • Khandavilli, U. B. Rao; Lusi, Matteo; Frawley, Patrick J. (International Union of Crystallography, 2019)
    The investigation of mechanical properties in molecular crystals is emerging as a novel area of interest in crystal engineering. Indeed, good mechanical properties are required to manufacture pharmaceutical and technologically ...
  • Markham, Sarah K.; Mani, Aladin; Korsakova, Elena A.; Korsakov, Aleksandr S.; Zhukova, Liya V.; Bauer, Joanna; Silien, Christophe; Tofail, Syed A.M. (Springer Verlag, 2020)
    Broadband mid-infrared (B-MIR) thermography using fibre optic waveguides can be critical in real-time imaging in harsh environments such as additive manufacturing, personalised medical diagnosis and therapy. We investigate ...
  • Serrano-Claumarchirant, José F.; Culebras, Mario; Cantarero, Andrés; Gómez, Clara M.; Muñoz-Espí, Rafael (MDPI, 2020)
    Hybrid thermoelectric flexible films based on poly(3,4-ethylenedioxythiophene) (PEDOT) nanoparticles and carbon nanotubes were prepared by using layer-by-layer (LbL) assembly. The employed PEDOT nanoparticles were ...
  • Xiao, Xinxin; Yan, Xiaomei; Magner, Edmond; Ulstrup, Jens (Elsevier, 2021)
    Redox polymers have been widely used to facilitate and stabilize bioelectrochemical communication between the active sites of enzymes and electrodes, enabling development of high-performance enzyme electrodes for sensing, ...

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