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Number of items: 11.
Article
Berardo, E;
Hu, H-S;
van Dam, HJJ;
Shevlin, SA;
Woodley, SM;
Kowalski, K;
Zwijnenburg, MA;
(2014)
Describing Excited State Relaxation and Localization in TiO2 Nanoparticles Using TD-DFT.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
, 10
(12)
5538 - 5548.
10.1021/ct500787x.
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Berardo, E;
Hu, HS;
Shevlin, SA;
Woodley, SM;
Kowalski, K;
Zwijnenburg, MA;
(2014)
Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description.
J Chem Theory Comput
, 10
(3)
1189 - 1199.
10.1021/ct4010273.
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Buckeridge, J;
Butler, KT;
Catlow, CRA;
Logsdail, AJ;
Scanlon, DO;
Shevlin, SA;
Woodley, SM;
... Walsh, A; + view all
(2015)
Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination.
Chemistry of Materials
, 27
(11)
pp. 3844-3851.
10.1021/acs.chemmater.5b00230.
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Gadipelli, S;
Zhao, T;
Shevlin, SA;
Guo, ZX;
(2016)
Switching effective oxygen reduction and evolution performance by controlled graphitization of a cobalt-nitrogen-carbon framework system.
Energy & Environmental Science
, 9
pp. 1661-1667.
10.1039/C6EE00551A.
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Han, X;
Stewart, HM;
Shevlin, SA;
Catlow, CR;
Guo, ZX;
(2014)
Strain and orientation modulated bandgaps and effective masses of phosphorene nanoribbons.
Nano Letters
, 14
(8)
pp. 4607-4614.
10.1021/nl501658d.
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Li, SF;
Xue, X;
Zhai, H;
Nie, X;
Wang, F;
Sun, Q;
Jia, Y;
... Shevlin, SA; + view all
(2012)
High inertness of W@Si-12 cluster toward O-2 molecule.
PHYSICS LETTERS A
, 376
(17)
1454 - 1459.
10.1016/j.physleta.2012.03.005.
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Martin, DJ;
Qiu, K;
Shevlin, SA;
Handoko, AD;
Chen, X;
Guo, Z;
Tang, J;
(2014)
Highly Efficient Photocatalytic H2 Evolution from Water using Visible Light and Structure-Controlled Graphitic Carbon Nitride.
Angew Chem Int Ed Engl
, 53
(35)
pp. 9240-9245.
10.1002/anie.201403375.
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Shevlin, SA;
Curioni, A;
Andreoni, W;
(2005)
Ab initio design of high-k dielectrics: LaxY1-xAlO3.
PHYS REV LETT
, 94
(14)
, Article 146401. 10.1103/PhysRevLett.94.146401.
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Shevlin, SA;
Guo, ZX;
(2016)
Anionic Dopants for Improved Optical Absorption and Enhanced Photocatalytic Hydrogen Production in Graphitic Carbon Nitride.
Chemistry of Materials
, 28
(20)
pp. 7250-7256.
10.1021/acs.chemmater.6b02002.
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Shevlin, SA;
Guo, ZX;
(2013)
MgH2 Dehydrogenation Thermodynamics: Nanostructuring and Transition Metal Doping.
The Journal of Physical Chemistry C
, 117
(21)
pp. 10883-10891.
10.1021/jp3117648.
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Walsh, A;
Buckeridge, J;
Catlow, CRA;
Jackson, AJ;
Keal, TW;
Miskufova, M;
Sherwood, P;
... Sokol, AA; + view all
(2013)
Limits to Doping of Wide Band Gap Semiconductors.
CHEMISTRY OF MATERIALS
, 25
(15)
2924 - 2926.
10.1021/cm402237s.
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