de Leeuw NH - Search Results

1

Advances in Sustainable Catalysis: A Computational Perspective.

Quesne MG, Silveri F, de Leeuw NH, Catlow CRA. Quesne MG, et al. Among authors: de leeuw nh. Front Chem. 2019 Apr 12;7:182. doi: 10.3389/fchem.2019.00182. eCollection 2019. Front Chem. 2019. PMID: 31032245 Free PMC article. Review.

2

Where on Earth has our water come from?

de Leeuw NH, Catlow CR, King HE, Putnis A, Muralidharan K, Deymier P, Stimpfl M, Drake MJ. de Leeuw NH, et al. Chem Commun (Camb). 2010 Dec 21;46(47):8923-5. doi: 10.1039/c0cc02312d. Epub 2010 Oct 22. Chem Commun (Camb). 2010. PMID: 20967372

3

Phase control during the synthesis of nickel sulfide nanoparticles from dithiocarbamate precursors.

Roffey A, Hollingsworth N, Islam HU, Mercy M, Sankar G, Catlow CR, Hogarth G, de Leeuw NH. Roffey A, et al. Among authors: de leeuw nh. Nanoscale. 2016 Jun 7;8(21):11067-75. doi: 10.1039/c6nr00053c. Epub 2016 May 13. Nanoscale. 2016. PMID: 27173962

4

A DFT+U investigation of hydrogen adsorption on the LaFeO₃(010) surface.

Boateng IW, Tia R, Adei E, Dzade NY, Catlow CR, de Leeuw NH. Boateng IW, et al. Among authors: de leeuw nh. Phys Chem Chem Phys. 2017 Mar 8;19(10):7399-7409. doi: 10.1039/c6cp08698e. Phys Chem Chem Phys. 2017. PMID: 28243636

5

CO₂ activation and dissociation on the low miller index surfaces of pure and Ni-coated iron metal: a DFT study.

Kwawu CR, Tia R, Adei E, Dzade NY, Catlow CRA, de Leeuw NH. Kwawu CR, et al. Among authors: de leeuw nh. Phys Chem Chem Phys. 2017 Jul 26;19(29):19478-19486. doi: 10.1039/c7cp03466k. Phys Chem Chem Phys. 2017. PMID: 28718470

6

Bulk and surface properties of metal carbides: implications for catalysis.

Quesne MG , Roldan A , de Leeuw NH , Catlow CRA . Quesne MG , et al. Among authors: de leeuw nh. Phys Chem Chem Phys. 2018 Mar 7;20(10):6905-6916. doi: 10.1039/c7cp06336a. Phys Chem Chem Phys. 2018. PMID: 29461558 Free article.

7

Hydrogen adsorption on transition metal carbides: a DFT study.

Silveri F , Quesne MG , Roldan A , de Leeuw NH , Catlow CRA . Silveri F , et al. Among authors: de leeuw nh. Phys Chem Chem Phys. 2019 Mar 6;21(10):5335-5343. doi: 10.1039/c8cp05975f. Phys Chem Chem Phys. 2019. PMID: 30652181 Free article.

8

Carbon dioxide and water co-adsorption on the low-index surfaces of TiC, VC, ZrC and NbC: a DFT study.

Quesne MG, Roldan A, de Leeuw NH, Catlow CRA. Quesne MG, et al. Among authors: de leeuw nh. Phys Chem Chem Phys. 2019 May 28;21(20):10750-10760. doi: 10.1039/c9cp00924h. Epub 2019 May 14. Phys Chem Chem Phys. 2019. PMID: 31086921 Free article.

9

Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li_1-xMn₂O₄ spinel (0.000 < x < 0.375): a DFT+U-D3 study.

Ramogayana B , Santos-Carballal D , Aparicio PA , Quesne MG , Maenetja KP , Ngoepe PE , de Leeuw NH . Ramogayana B , et al. Among authors: de leeuw nh. Phys Chem Chem Phys. 2020 Mar 28;22(12):6763-6771. doi: 10.1039/c9cp05658k. Epub 2020 Mar 13. Phys Chem Chem Phys. 2020. PMID: 32168369 Free article.

10

How bulk and surface properties of Ti₄SiC₃, V₄SiC₃, Nb₄SiC₃ and Zr₄SiC₃ tune reactivity: a computational study.

Quesne MG, Catlow CRA, de Leeuw NH. Quesne MG, et al. Among authors: de leeuw nh. Faraday Discuss. 2021 Jul 16;230(0):87-99. doi: 10.1039/d1fd00004g. Faraday Discuss. 2021. PMID: 33960357 Free article.

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