Research Profile

Davide Tiana

Biography

Dr Davide Tiana obtained his BSc in chemistry (2005) followed by a Master in Inorganic and Physical Chemistry (2007) and a PhD in Computational and Theoretical Chemistry (2010) at the University of Milan.

After spending one year at the University of Augsburg and at the University of Edinburgh as visitor scientist in 2011, he worked 3 years as PDRA at the University of Bath with Prof Aron Walsh, followed by 2 years as senior scientist at the École polytechnique fédérale de Lausanne (EPFL).

Since March 2017 he joined UCC as lecturer in Inorganic Chemistry.

Publications

Peer Reviewed Journals

 YearPublication
(2019)'Water-Based Synthesis and Enhanced CO2 Capture Performance of Perfluorinated Cerium-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Topology'
D’Amato, Roberto; Donnadio, Anna; Carta, Mariolino; Sangregorio, Claudio; Tiana, Davide; Vivani, Riccardo; Taddei, Marco; Costantino, Ferdinando (2019) 'Water-Based Synthesis and Enhanced CO2 Capture Performance of Perfluorinated Cerium-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Topology'. Acs Sustainable Chemistry & Engineering, 7 (1):394-402   [DOI] [CORA Link] [Details]
(2018)'Rapid, Selective Heavy Metal Removal from Water by a Metal-Organic Framework/Polydopamine Composite'
Sun, DT;Peng, L;Reeder, WS;Moosavi, SM;Tiana, D;Britt, DK;Oveisi, E;Queen, WL (2018) 'Rapid, Selective Heavy Metal Removal from Water by a Metal-Organic Framework/Polydopamine Composite'. Acs Central Science, 4 :349-356   [DOI] [CORA Link] [Details]
(2017)'Adsorbate-induced lattice deformation in IRMOF-74 series'
Jawahery, S;Simon, CM;Braun, E;Witman, M;Tiana, D;Vlaisavljevich, B;Smit, B (2017) 'Adsorbate-induced lattice deformation in IRMOF-74 series'. Nature Communications, 8 [DOI] [CORA Link] [Details]
(2017)'Metal-Organic Frameworks Invert Molecular Reactivity: Lewis Acidic Phosphonium Zwitterions Catalyze the Aldol-Tishchenko Reaction'
Bauer G;Ongari D;Xu X;Tiana D;Smit B;Ranocchiari M; (2017) 'Metal-Organic Frameworks Invert Molecular Reactivity: Lewis Acidic Phosphonium Zwitterions Catalyze the Aldol-Tishchenko Reaction'. Journal of the American Chemical Society, 139 :18166-18169 [DOI] [CORA Link] [Details]
(2017)'Formation pathways of metal-organic frameworks proceeding through partial dissolution of the metastable phase'
Anderson, Samantha L. and Gladysiak, Andrzej and Boyd, Peter G. and Ireland, Christopher P. and Mieville, Pascal and Tiana, Davide and Vlaisavljevich, Bess and Schouwink, Pascal and van Beek, Wouter and Gagnon, Kevin J. and Smit, Berend and Stylianou, Kyriakos C. (2017) 'Formation pathways of metal-organic frameworks proceeding through partial dissolution of the metastable phase'. CrystEngComm, 19 :3407-3413   [DOI] [Details]
(2017)'Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks'
Ongari, Daniele and Tiana, Davide and Stoneburner, Samuel J. and Gagliardi, Laura and Smit, Berend (2017) 'Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks'. Journal of Physical Chemistry C, 121 (28):15135-15144   [DOI] [CORA Link] [Details]
(2017)'Mixed-linker UiO-66: structure-property relationships revealed by a combination of high-resolution powder X-ray diffraction and density functional theory calculations'
Taddei, M;Tiana, D;Casati, N;van Bokhoven, JA;Smit, B;Ranocchiari, M (2017) 'Mixed-linker UiO-66: structure-property relationships revealed by a combination of high-resolution powder X-ray diffraction and density functional theory calculations'. Physical Chemistry Chemical Physics, 19 :1551-1559 [DOI] [CORA Link] [Details]
(2016)'CO2 Adsorption in M-IRMOF-10 (M = Mg, Ca, Fe, Cu, Zn, Ge, Sr, Cd, Sn, Ba)'
Borycz, J;Tiana, D;Haldoupis, E;Sung, JC;Farha, OK;Siepmann, JI;Gagliardi, L (2016) 'CO2 Adsorption in M-IRMOF-10 (M = Mg, Ca, Fe, Cu, Zn, Ge, Sr, Cd, Sn, Ba)'. Journal of Physical Chemistry C, 120 :12819-12830 [DOI] [Details]
(2016)'Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study'
Cadman, LK;Bristow, JK;Stubbs, NE;Tiana, D;Mahon, MF;Walsh, A;Burrows, AD (2016) 'Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study'. Dalton Transactions, 45 :4316-4326 [DOI] [CORA Link] [Details]
(2016)'A universal chemical potential for sulfur vapours'
Jackson, AJ;Tiana, D;Walsh, A (2016) 'A universal chemical potential for sulfur vapours'. Chemical Science, 7 :1082-1092 [DOI] [CORA Link] [Details]
(2016)'Free Energy of Ligand Removal in the Metal-Organic Framework UiO-66'
Bristow, JK;Svane, KL;Tiana, D;Skelton, JM;Gale, JD;Walsh, A (2016) 'Free Energy of Ligand Removal in the Metal-Organic Framework UiO-66'. Journal of Physical Chemistry C, 120 :9276-9281 [DOI] [CORA Link] [Details]
(2015)'Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors'
Skelton, JM;Tiana, D;Parker, SC;Togo, A;Tanaka, I;Walsh, A (2015) 'Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors'. Chemical Physics, 143 [DOI] [CORA Link] [Details]
(2015)'An Interacting Quantum Atoms Analysis of the Metal-Metal Bond in [M-2(CO)(8)](n) Systems'
Tiana, D;Francisco, E;Macchi, P;Sironi, A;Pendas, AM (2015) 'An Interacting Quantum Atoms Analysis of the Metal-Metal Bond in [M-2(CO)(8)](n) Systems'. The Journal of Physical Chemistry A, 119 :2153-2160 [DOI] [Details]
(2015)'First principles static and dynamic calculations for the transition metal hydride series MH4L3 (M = Fe, Ru and Os; L = NH3, PH3 and PF3)'
Sieffert, N;Kendrick, T;Tiana, D;Morrison, CA (2015) 'First principles static and dynamic calculations for the transition metal hydride series MH4L3 (M = Fe, Ru and Os; L = NH3, PH3 and PF3)'. Dalton Transactions, 44 :4259-4270 [DOI] [CORA Link] [Details]
(2014)'An Off-axis Mn-Mn bond in Mn-2(CO)(10) at high pressure'
Macchi, P;Casati, N;Evans, SR;Gozzo, F;Simoncic, P;Tiana, D (2014) 'An Off-axis Mn-Mn bond in Mn-2(CO)(10) at high pressure'. Chemical Communications, 50 :12824-12827 [DOI] [Details]
(2014)'Computational screening of structural and compositional factors for electrically conductive coordination polymers'
Tiana, D;Hendon, CH;Walsh, A;Vaid, TP (2014) 'Computational screening of structural and compositional factors for electrically conductive coordination polymers'. Physical Chemistry Chemical Physics, 16 :14463-14472 [DOI] [CORA Link] [Details]
(2014)'Defect chemistry of Ti and Fe impurities and aggregates in Al2O3'
Bristow, JK;Tiana, D;Parker, SC;Walsh, A (2014) 'Defect chemistry of Ti and Fe impurities and aggregates in Al2O3'. Journal of Materials Chemistry A, 2 :6198-6208 [DOI] [CORA Link] [Details]
(2014)'Tunable Trimers: Using Temperature and Pressure to Control Luminescent Emission in Gold(I) Pyrazolate-Based Trimers'
Woodall, CH;Fuertes, S;Beavers, CM;Hatcher, LE;Parlett, A;Shepherd, HJ;Christensen, J;Teat, SJ;Intissar, M;Rodrigue-Witchel, A;Suffren, Y;Reber, C;Hendon, CH;Tiana, D;Walsh, A;Raithby, PR (2014) 'Tunable Trimers: Using Temperature and Pressure to Control Luminescent Emission in Gold(I) Pyrazolate-Based Trimers'. Chemistry - A European Journal, 20 :16933-16942 [DOI] [CORA Link] [Details]
(2014)'Ligand design for long-range magnetic order in metal-organic frameworks'
Tiana, D;Hendon, CH;Walsh, A (2014) 'Ligand design for long-range magnetic order in metal-organic frameworks'. Chemical Communications, 50 :13990-13993 [DOI] [CORA Link] [Details]
(2014)'Transferable Force Field for Metal-Organic Frameworks from First-Principles: BTW-FF'
Bristow, JK;Tiana, D;Walsh, A (2014) 'Transferable Force Field for Metal-Organic Frameworks from First-Principles: BTW-FF'. Journal of Chemical Theory and Computation, 10 :4644-4652 [DOI] [CORA Link] [Details]
(2013)'Helical frontier orbitals of conjugated linear molecules'
Hendon, CH;Tiana, D;Murray, AT;Carbery, DR;Walsh, A (2013) 'Helical frontier orbitals of conjugated linear molecules'. Chemical Science, 4 :4278-4284 [DOI] [CORA Link] [Details]
(2013)'Engineering the Optical Response of the Titanium-MIL-125 Metal-Organic Framework through Ligand Functionalization'
Hendon, CH;Tiana, D;Fontecave, M;Sanchez, C;D'arras, L;Sassoye, C;Rozes, L;Mellot-Draznieks, C;Walsh, A (2013) 'Engineering the Optical Response of the Titanium-MIL-125 Metal-Organic Framework through Ligand Functionalization'. Journal of the American Chemical Society, 135 :10942-10945 [DOI] [CORA Link] [Details]
(2013)'Thermodynamic and electronic properties of tunable II-VI and IV-VI semiconductor based metal-organic frameworks from computational chemistry'
Hendon, CH;Tiana, D;Vaid, TP;Walsh, A (2013) 'Thermodynamic and electronic properties of tunable II-VI and IV-VI semiconductor based metal-organic frameworks from computational chemistry'. Journal of Materials Chemistry C, 1 :95-100 [DOI] [Details]
(2012)'Conductive metal-organic frameworks and networks: fact or fantasy?'
Hendon, CH;Tiana, D;Walsh, A (2012) 'Conductive metal-organic frameworks and networks: fact or fantasy?'. Physical Chemistry Chemical Physics, 14 :13120-13132 [DOI] [Details]
(2011)'Experimental and Theoretical Charge Density Studies at Subatomic Resolution'
Fischer, A;Tiana, D;Scherer, W;Batke, K;Eickerling, G;Svendsen, H;Bindzus, N;Iversen, BB (2011) 'Experimental and Theoretical Charge Density Studies at Subatomic Resolution'. The Journal of Physical Chemistry A, 115 :13061-13071 [DOI] [Details]
(2011)'Restoring orbital thinking from real space descriptions: bonding in classical and non-classical transition metal carbonyls'
Tiana, D;Francisco, E;Blanco, MA;Macchi, P;Sironi, A;Pendas, AM (2011) 'Restoring orbital thinking from real space descriptions: bonding in classical and non-classical transition metal carbonyls'. Physical Chemistry Chemical Physics, 13 :5068-5077 [DOI] [Details]
(2010)'Bonding in Classical and Nonclassical Transition Metal Carbonyls: The Interacting Quantum Atoms Perspective'
Tiana, D;Francisco, E;Blanco, MA;Macchi, P;Sironi, A;Pendas, AM (2010) 'Bonding in Classical and Nonclassical Transition Metal Carbonyls: The Interacting Quantum Atoms Perspective'. Journal of Chemical Theory and Computation, 6 :1064-1074 [DOI] [Details]
(2009)'Using Pseudopotentials within the Interacting Quantum Atoms Approach'
Tiana, D;Francisco, E;Blanco, MA;Pendas, AM (2009) 'Using Pseudopotentials within the Interacting Quantum Atoms Approach'. The Journal of Physical Chemistry A, 113 :7963-7971 [DOI] [Details]

Professional Activities

Professional Associations

 AssociationFunctionFrom / To
Royal Society of Chemistry Member/

Education

 YearInstitutionQualificationSubject
2010University of Milan PhDComputational and Theoretical Chemistry
2005University of Milan BScChemistry
2007University of Milan MScPhysical and Inorganic Chemistry

Teaching Activities

Teaching Interests

At present I am lecturing the following modules:

CM3021: Transition metals and lanthanides
CM3025: Band theory and defects in solids
CM2005: Organometallics
CM4018: Heterogeneous catalysis
CM4025: Nanoparticle and theri applications

Contact details

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School of Chemistry

Scoil na Ceimic

Second Floor, Kane Building, University College Cork, T12 YN60.

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