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Number of items: 28.

King, Helen E., Salisbury, Alistair, Huijsmans, Jasper, Dzade, Nelson Y. and Plümper, Oliver 2019. Influence of inorganic solution components on lithium carbonate crystal growth. Crystal Growth and Design 19 (12) , pp. 6994-7006. 10.1021/acs.cgd.9b00782
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Bade, Bharat R., Rondiya, Sachin, Bhopale, Somnath R., Dzade, Nelson Y., Kamble, Mahesh M., Rokade, Avinash, Nasane, Mamta P., More, Mahendra A., Jadkar, Sandesh R. and Funde, Adinath M. 2019. Correction to: Investigation of growth mechanism for highly oriented TiO2 nanorods: the role of reaction time and annealing temperature. SN Applied Sciences 1 (10) , p. 1195. 10.1007/s42452-019-1208-7
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Wu, Longfei, Longo, Alessandro, Dzade, Nelson Y., Sharma, Akhil, Hendrix, Marco M. R. M., Bol, Ageeth A., De Leeuw, Nora H., Hensen, Emiel J. M. and Hofmann, Jan Philipp 2019. The origin of high activity of amorphous MoS2 in the hydrogen evolution reaction. ChemSusChem 12 (19) , pp. 4383-4389. 10.1002/cssc.201901811
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Bade, Bharat R., Rondiya, Sachin, Bhopale, Somnath R., Dzade, Nelson Y., Kamble, Mahesh M., Rokade, Avinash, Nasane, Mamta P., More, Mahendra A., Jadkar, Sandesh R. and Funde, Adinath M. 2019. Investigation of growth mechanism for highly oriented TiO2 nanorods: the role of reaction time and annealing temperature. SN Applied Sciences 1 (9) , 1073. 10.1007/s42452-019-0978-2
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Jossou, Ericmoore, Malakkal, Linu, Dzade, Nelson, Claisse, Antoine, Szpunar, Barbara and Szpunar, Jerzy 2019. DFT + U study of the adsorption and dissociation of water on clean, defective, and oxygen-covered U3Si2{001}, {110}, and {111} surfaces. Journal of Physical Chemistry C 123 (32) , pp. 19453-19467. 10.1021/acs.jpcc.9b03076
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Wu, Longfei, Dzade, Nelson Y., Yu, Miao, Mezari, Brahim, van Hoof, Arno J. F., Friedrich, Heiner, de Leeuw, Nora H., Hensen, Emiel J. M. and Hofmann, Jan P. 2019. Unraveling the role of lithium in enhancing the hydrogen evolution activity of MoS2: Intercalation versus adsorption. ACS Energy Letters 4 (7) , pp. 1733-1740. 10.1021/acsenergylett.9b00945
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Živković, Aleksandar, Farkas, Barbara, Uahengo, Veikko, De Leeuw, Nora H and Dzade, Nelson Y 2019. First-principles DFT insights into the structural, elastic, and optoelectronic properties of α and β-ZnP2: implications for photovoltaic applications. Journal of Physics: Condensed Matter 31 (26) , 265501. 10.1088/1361-648X/ab111c
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Menkah, Elliot S., Dzade, Nelson Y., Tia, Richard, Adei, Evans and de Leeuw, Nora H. 2019. Hydrazine adsorption on perfect and defective fcc nickel (100), (110) and (111) surfaces: A dispersion corrected DFT-D2 study. Applied Surface Science 480 , pp. 1014-1024. 10.1016/j.apsusc.2019.02.128
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Wu, Longfei, van Hoof, Arno J. F., Dzade, Nelson Y., Gao, Lu, Richard, Marie-Ingrid, Friedrich, Heiner, De Leeuw, Nora H., Hensen, Emiel J. M. and Hofmann, Jan P. 2019. Enhancing the electrocatalytic activity of 2H-WS2 for hydrogen evolution via defect engineering. Physical Chemistry Chemical Physics 21 (11) , pp. 6071-6079. 10.1039/C9CP00722A
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Aniagyei, Albert, Dzade, Nelson Y., Tia, Richard, Adei, Evans, Catlow, C. R. A. and de Leeuw, Nora H. 2018. Ab initio investigation of O2 adsorption on Ca-doped LaMnO3 cathodes in solid oxide fuel cells. Physical Chemistry Chemical Physics 20 (45) , p. 28685. 10.1039/C8CP02137F
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Dzade, Nelson Y. and de Leeuw, Nora H. 2018. Density functional theory characterization of the structures of H3AsO3 and H3AsO4 adsorption complexes on ferrihydrite. Environmental Science: Processes and Impacts 20 (6) , pp. 977-987. 10.1039/C7EM00608J
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Santos-Carballal, David, Roldan Martinez, Alberto, Dzade, Nelson Y. and De Leeuw, Nora H. 2018. Reactivity of CO2 on the surfaces of magnetite (Fe3O4), greigite (Fe3S4) and mackinawite (FeS). Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 376 (2110) , 20170065. 10.1098/rsta.2017.0065
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Jossou, Ericmoore, Eduok, Ubong, Dzade, Nelson Y., Szpunar, Barbara and Szpunar, Jerzy A. 2018. Oxidation behaviour of U3Si2: an experimental and first principles investigation. Physical Chemistry Chemical Physics 20 (7) , pp. 4708-4720. 10.1039/C7CP07154J
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Dzade, Nelson and De Leeuw, Nora H. 2018. Adsorption and desulfurization mechanism of thiophene on layered FeS (001), (011) and (111) surfaces: A DFT-D2 study. Journal of Physical Chemistry C 122 (1) , pp. 359-370. 10.1021/acs.jpcc.7b08711
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Dzade, Nelson Y. and De Leeuw, Nora Henriette 2017. Periodic DFT+U investigation of the bulk and surface properties of marcasite (FeS2). Physical Chemistry Chemical Physics 19 (40) , pp. 27478-27488. 10.1039/C7CP04413E
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Kwawu, Caroline R., Tia, Richard, Adei, Evans, Dzade, Nelson Y., Catlow, Charles Richard A. and De Leeuw, Nora 2017. CO2 activation and dissociation on the low miller index surfaces of pure and Ni-coated iron metal: a DFT study. Physical Chemistry Chemical Physics 19 (29) , pp. 19478-19486. 10.1039/C7CP03466K
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Dzade, Nelson Y., Roldan Martinez, Alberto and De Leeuw, Nora H. 2017. Structures and properties of As(OH)3 adsorption complexes on hydrated mackinawite (FeS) surfaces: A DFT-D2 study. Environmental Science & Technology 51 (6) , pp. 3461-3470. 10.1021/acs.est.7b00107
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Wu, Longfei, Dzade, Nelson Y., Gao, Lu, Scanlon, David O., Öztürk, Zafer, Hollingsworth, Nathan, Weckhuysen, Bert M., Hensen, Emiel J. M., De Leeuw, Nora H. and Hofmann, Jan P. 2016. Enhanced photoresponse of FeS2 films: the role of marcasite-pyrite phase junctions. Advanced Materials 28 (43) , pp. 9602-9607. 10.1002/adma.201602222
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Dzade, Nelson, Roldan Martinez, Alberto and De Leeuw, Nora 2016. DFT-D2 Study of the Adsorption and Dissociation of Water on Clean and Oxygen-Covered {001} and {011} Surfaces of Mackinawite (FeS). Journal of Physical Chemistry C 120 (38) , pp. 21441-21450. 10.1021/acs.jpcc.6b06122
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Dzade, Nelson, Roldan Martinez, Alberto and De Leeuw, Nora 2016. Surface and shape modification of mackinawite (FeS) nanocrystals by cysteine adsorption: a first-principles DFT-D2 study. Physical Chemistry Chemical Physics 18 (47) , pp. 32007-32020. 10.1039/C6CP05913A
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Dzade, Nelson, Roldan Martinez, Alberto and de Leeuw, Nora 2016. DFT-D2 simulations of water adsorption and dissociation on the low-index surfaces of mackinawite (FeS). Journal of Chemical Physics 144 (17) , 174704. 10.1063/1.4947588
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Awuah, Joel B., Dzade, Nelson, Tia, Richard, Adei, Evans, Kwakye-Awuah, Bright, Catlow, Charles Richard and de Leeuw, Nora 2016. A density functional theory study of arsenic immobilization by the Al(iii)-modified zeolite clinoptilolite. Physical Chemistry Chemical Physics 18 (16) , pp. 11297-11305. 10.1039/C6CP00190D

Dzade, Nelson Y., Roldan Martinez, Alberto and de Leeuw, Nora H. 2015. Activation and dissociation of CO2 on the (001), (011), and (111) surfaces of mackinawite (FeS): a dispersion-corrected DFT study. Journal of Chemical Physics 143 (9) , 94703. 10.1063/1.4929470
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Dzade, Nelson Y., Roldan Martinez, Alberto and de Leeuw, Nora H. 2014. The surface chemistry of NOx on mackinawite (FeS) surfaces: A DFT-D2 study. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 16 (29) , pp. 15444-15456. 10.1039/c4cp01138d

Tafreshi, Saeedeh S., Roldan Martinez, Alberto, Dzade, Nelson and de Leeuw, Nora H. 2014. Adsorption of hydrazine on the perfect and defective copper (111) surface: A dispersion-corrected DFT study. Surface Science 622 , pp. 1-8. 10.1016/j.susc.2013.11.013
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Dzade, Nelson, Roldan Martinez, Alberto and de Leeuw, Nora 2014. A density functional theory study of the adsorption of benzene on hematite (α-Fe2O3) surfaces. Minerals 4 (1) , pp. 89-115. 10.3390/min4010089
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Dzade, Nelson Y., Roldan Martinez, Alberto and De Leeuw, Nora H. 2013. Adsorption of methylamine on mackinawite (FES) surfaces: A density functional theory study. The Journal of Chemical Physics 139 (12) , 124708. 10.1063/1.4822040

Dzade, Nelson Y., Obodo, Kingsley O., Adjokatse, Sampson K., Ashu, Akosa C., Amankwah, Emmanuel, Atiso, Clement D., Bello, Abdulhakeem A., Igumbor, Emmanuel, Nzabarinda, Stany B., Obodo, Joshua T., Ogbuu, Anthony O., Femi, Olu Emmanuel, Udeigwe, Josephine O. and Waghmare, Umesh V. 2010. Silicene and transition metal based materials: prediction of a two-dimensional piezomagnet. Journal of Physics: Condensed Matter 22 (37) , 375502. 10.1088/0953-8984/22/37/375502

This list was generated on Mon Dec 9 05:04:18 2019 GMT.