26 results
Interstitial versus substitutional metal insertion in V2O5 as post-lithium ion battery cathode: a comparative GGA/GGA + U study with localized bases
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- Journal:
- MRS Communications / Volume 10 / Issue 2 / June 2020
- Published online by Cambridge University Press:
- 22 May 2020, pp. 259-264
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- June 2020
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First-Principles Study of the Electrochemical Sodiation of Rutile-Type Vanadium Dioxide
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- MRS Advances / Volume 5 / Issue 27-28 / 2020
- Published online by Cambridge University Press:
- 28 January 2020, pp. 1467-1474
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- 2020
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A Comparative First-Principles Study of Lithium, Sodium and Magnesium Insertion Energetics in Brookite Titanium Dioxide
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- MRS Advances / Volume 4 / Issue 14 / 2019
- Published online by Cambridge University Press:
- 11 December 2018, pp. 837-842
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- 2019
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The role of solvent charge donation in the stabilization of metal ions in aqueous solution
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- MRS Communications / Volume 8 / Issue 3 / September 2018
- Published online by Cambridge University Press:
- 17 August 2018, pp. 1139-1144
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- September 2018
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Dopant–dopant interactions in beryllium doped indium gallium arsenide: An ab initio study
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- Journal of Materials Research / Volume 33 / Issue 4 / 28 February 2018
- Published online by Cambridge University Press:
- 14 January 2018, pp. 401-413
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- 28 February 2018
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First-Principles Study of the Calcium Insertion in Layered and Non-Layered Phases of Vanadia
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- MRS Advances / Volume 3 / Issue 60 / 2018
- Published online by Cambridge University Press:
- 28 May 2018, pp. 3507-3512
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- 2018
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A first-principles study of potassium insertion in crystalline vanadium oxide phases as possible potassium-ion battery cathode materials
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- MRS Communications / Volume 7 / Issue 4 / December 2017
- Published online by Cambridge University Press:
- 09 October 2017, pp. 819-825
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- December 2017
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Doping of active electrode materials for electrochemical batteries: an electronic structure perspective
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- MRS Communications / Volume 7 / Issue 3 / September 2017
- Published online by Cambridge University Press:
- 14 August 2017, pp. 523-540
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- September 2017
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Investigation of thiophene flanked diketopyrrolopyrrole monomers with straight and branched alkyl chains and their electropolymerization study
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- Journal of Materials Research / Volume 32 / Issue 14 / 28 July 2017
- Published online by Cambridge University Press:
- 15 May 2017, pp. 2707-2718
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- 28 July 2017
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A comparative study of electrochemical, optical properties and electropolymerization behavior of thiophene- and furan-substituted diketopyrrolopyrrole
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- Journal of Materials Research / Volume 32 / Issue 4 / 28 February 2017
- Published online by Cambridge University Press:
- 07 February 2017, pp. 810-821
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- 28 February 2017
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Disodium Pyridine Dicarboxylate vs Disodium Terephthalate as Anode Materials for Organic Na Ion Batteries: Effect of Molecular Structure on Voltage from the Molecular Modeling Perspective
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- MRS Advances / Volume 2 / Issue 54 / 2017
- Published online by Cambridge University Press:
- 02 May 2017, pp. 3231-3235
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- 2017
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A Model for Estimating Chemical Potentials in Ternary Semiconductor Compounds: the Case of InGaAs
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- MRS Advances / Volume 2 / Issue 51 / 2017
- Published online by Cambridge University Press:
- 15 May 2017, pp. 2909-2914
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- 2017
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Sodium Interaction with Disodium Terephthalate Molecule: an Ab Initio Study
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- MRS Advances / Volume 1 / Issue 53 / 2016
- Published online by Cambridge University Press:
- 22 June 2016, pp. 3579-3584
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- 2016
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Mg and K Insertion in Glassy Amorphous Carbon vs Graphite as Potential Anode Materials: an Ab Initio Study
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- MRS Advances / Volume 1 / Issue 45 / 2016
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- 13 July 2016, pp. 3069-3074
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- 2016
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Adsorption and Light Absorption Properties of 2-Anthroic Acid on Titania: a Density Functional Theory – Time-Dependent Density Functional Theory Study
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- MRS Advances / Volume 1 / Issue 41 / 2016
- Published online by Cambridge University Press:
- 11 April 2016, pp. 2795-2800
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- 2016
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Effect of Surface Treatment on the Mode I Debonding of Interface Between Silica and Nylon6
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- MRS Advances / Volume 1 / Issue 39 / 2016
- Published online by Cambridge University Press:
- 29 July 2016, pp. 2717-2722
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- 2016
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Adsorption of UF6on Graphene Derivatives: a Computational Study of Conditions for 2D Enrichment
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- Journal:
- MRS Online Proceedings Library Archive / Volume 1683 / 2014
- Published online by Cambridge University Press:
- 19 May 2014, mrss14-1683-s01-04
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- 2014
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Li Storage on TCNE and TCNE-(Doped)-Graphene Complexes: a Computational Study
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- MRS Online Proceedings Library Archive / Volume 1679 / 2014
- Published online by Cambridge University Press:
- 08 September 2014, mrss14-1679-o05-10
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- 2014
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Achieving Improved Solar Absorbance of Small Organic Dyes Featuring Quinoidized Five-Membered Heterocycles
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- Journal:
- MRS Online Proceedings Library Archive / Volume 1667 / 2014
- Published online by Cambridge University Press:
- 28 July 2014, mrss14-1667-b07-03
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- 2014
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A Comparative Computational Study of Li, Na, and Mg Insertion in α-Sn
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- Journal:
- MRS Online Proceedings Library Archive / Volume 1678 / 2014
- Published online by Cambridge University Press:
- 30 July 2014, mrss14-1678-n09-06
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- 2014
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