Title: Catalytic Reduction of Carbon Dioxide on the (001), (011), and (111) Surfaces of TiC and ZrC: A Computational Study Year: 2022
Authors (6):
F. Silveri, M. G. Quesne, F. Viñes, F. Illas, C. R. A. .Catlow, N. H. de Leeuw
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.1c10180 journal-article
Themes: New Catalysts (2022)
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Title: Chemo-enzymatic routes towards the synthesis of bio-based monomers and polymers Year: 2019
Authors (3):
S. T. Ahmed, N. G. H. .Leferink, N. S. Scrutton
Publisher: Molecular Catalysis
DOI: 10.1016/j.mcat.2019.01.036 article-journal
Themes: Biocatalysis (2019)
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Title: Composition-Dependent Reactivity of Ba0.5Sr0.5CoxFe1–xO3−δ toward the Oxygen Reduction Reaction Year: 2016
Authors (3):
V. Celorrio, D. Tiwari, D. J. Fermín
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.6b04781 article-journal
Themes: Energy (2016)
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Title: Cycling Rate‐Induced Spatially‐Resolved Heterogeneities in Commercial Cylindrical Li‐Ion Batteries Year: 2021
Authors (15):
A. Vamvakeros, D. Matras, T. E. Ashton, A. A. Coelho, H. Dong, D. Bauer, Y. Odarchenko, S. W. T. .Price, K. T. Butler, O. Gutowski, A. ‐C. Dippel, M. von Zimmerman, J. A. Darr, S. D. M. .Jacques, A. M. Beale
Publisher: Small Methods
DOI: 10.1002/smtd.202100512 journal-article
Themes: Core (2021)
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Title: Determination of the Nature of the Cu Coordination Complexes Formed in the Presence of NO and NH3 within SSZ-13 Year: 2015
Authors (8):
I. Lezcano‐Gonzalez, D. S. Wragg, W. A. Slawinski, K. Hemelsoet, A. Van Yperen-De Deyne, M. Waroquier, V. Van Speybroeck, A. M. Beale
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.5b06875 journal-article
Themes: Design (2015)
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Title: Development of Interatomic Potentials for Supported Nanoparticles: The Cu/ZnO Case Year: 2017
Authors (6):
D. Mora-Fonz, T. Lazauskas, S. M. Woodley, S. T. Bromley, C. R. A. .Catlow, A. A. Sokol
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.7b04502 article-journal
Themes: Collaborations (2017)
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Title: Diffusion of Isobutane in Silicalite: A Neutron Spin–Echo and Molecular Dynamics Simulation Study Year: 2015
Authors (4):
A. J. O'Malley, C. R. A. .Catlow, M. Monkenbusch, H. Jobic
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.5b08048 journal-article
Themes: Design (2015)
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Title: Electrocatalytic Site Activity Enhancement via Orbital Overlap in A2MnRuO7 (A = Dy3+, Ho3+, and Er3+) Pyrochlore Nanostructures Year: 2021
Authors (11):
V. Celorrio, D. Tiwari, L. Calvillo, A. Leach, H. Huang, G. Granozzi, J. A. .Alonso, A. Aguadero, R. M. .Pinacca, A. E. Russell, D. Fermin
Publisher: ACS Applied Energy Materials
DOI: 10.1021/acsaem.0c02060 article-journal
Themes: Energy (2021)
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Title: Electrochemical Synthesis of Nanostructured Metal-Doped Titanates and Investigation of Their Activity as Oxygen Evolution Photoanodes Year: 2018
Authors (9):
M. J. Lawrence, V. Celorrio, X. Shi, Q. Wang, A. Yanson, N. J. E. .Adkins, M. Gu, J. Rodríguez-López, P. Rodríguez
Publisher: ACS Applied Energy Materials
DOI: 10.1021/acsaem.8b00873 article-journal
Themes: BAG (2018)
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Title: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible Year: 2020
Authors (2):
K. Zinovjev, M. W. van der Kamp
Publisher: Bioinformatics
DOI: 10.1093/bioinformatics/btaa643 article-journal
Themes: Biocatalysis (2020)
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