Publikationer av Claudio Miguel Lousada Patricio
Refereegranskade
Artiklar
[1]
C. M. Lousada och P. . A. Korzhavyi, "Graphene, phosphorene and silicene coatings on the (0001) surfaces of hcp metals: Structural stability and hydrophobicity," Materials Today Communications, vol. 33, s. 104281-104281, 2022.
[2]
C. M. Lousada och P. . A. Korzhavyi, "Hydrogen at symmetric tilt grain boundaries in aluminum : segregation energies and structural features," Scientific Reports, vol. 12, no. 1, 2022.
[3]
C. M. Lousada, "Interactions between glucosides of the tip of the S1 subunit of SARS-CoV-2 spike protein and dry and wet surfaces of CuO and Cu-A model for the surfaces of coinage metals," Colloids and Surfaces B : Biointerfaces, vol. 214, s. 112465, 2022.
[4]
V. Singh et al., "Scalable InkJet-Based Additive Fabrication of Photocatalytic TiO2 Thin Films," ChemPhotoChem, vol. 6, no. 3, 2022.
[5]
C. M. Lousada och P. . A. Korzhavyi, "Single vacancies at ∑5, ∑9 and ∑11 grain boundaries of copper and the geometrical factors that affect their site preference," Journal of Physics and Chemistry of Solids, vol. 169, s. 110833, 2022.
[6]
R. Sandström och C. M. Lousada, "The role of binding energies for phosphorus and sulphur at grain boundaries in copper," Journal of Nuclear Materials, vol. 544, 2021.
[7]
C. M. Lousada och P. A. Korzhavyi, "Hydrogen sorption capacity of crystal lattice defects and low Miller index surfaces of copper," Journal of Materials Science, vol. 55, no. 15, s. 6623-6636, 2020.
[8]
M. Petranikova et al., "Novel process for decontamination and additional valorization of steel making dust processing using two-step correlative leaching," Journal of Hazardous Materials, vol. 384, 2020.
[9]
C. M. Lousada och P. . A. Korzhavyi, "Segregation of P and S Impurities to A Sigma 9 Grain Boundary in Cu," Metals, vol. 10, no. 10, 2020.
[10]
C. M. Lousada och P. . A. Korzhavyi, "The H2S dimer revisited – Insights from wave-function and density functional theory methods. Ab initio molecular dynamics simulations of liquid H2S," Computational and Theoretical Chemistry, vol. 1180, 2020.
[11]
C. M. Lousada, "Wood cellulose as a hydrogen storage material," International journal of hydrogen energy, vol. 45, no. 29, s. 14907-14914, 2020.
[12]
N. Sophonrat et al., "Ex Situ Catalytic Pyrolysis of a Mixture of Polyvinyl Chloride and Cellulose Using Calcium Oxide for HCl Adsorption and Catalytic Reforming of the Pyrolysis Products," Industrial & Engineering Chemistry Research, vol. 58, no. 31, s. 13960-13970, 2019.
[13]
M. Ghadami Yazdi et al., "Structure dependent effect of silicon on the oxidation of Al(111) and Al(100)," Surface Science, vol. 684, s. 1-11, 2019.
[14]
C. M. Lousada, A. J. Johansson och P. . A. Korzhavyi, "Adsorption of Hydrogen Sulfide, Hydrosulfide and Sulfide at Cu(110) - Polarizability and Cooperativity Effects. First Stages of Formation of a Sulfide Layer," ChemPhysChem, vol. 19, no. 17, s. 2159-2168, 2018.
[15]
S. Xia et al., "Erratum : Nonlinear oxidation behavior in pure Ni and Ni-containing entropic alloys (Front. Mater., (2018) 5, 53, 10.3389/fmats.2018.00053)," Frontiers in Materials, vol. 5, 2018.
[16]
C. M. Lousada och P. . A. Korzhavyi, "First stages of oxide growth on Al(1 1 0) and core-level shifts from density functional theory calculations," Applied Surface Science, vol. 441, s. 174-186, 2018.
[17]
C. M. Lousada, N. Sophonrat och Y. Weihong, "Mechanisms of Formation of H, HO, and Water and of Water Desorption in the Early Stages of Cellulose Pyrolysis," The Journal of Physical Chemistry C, vol. 122, no. 23, s. 12168-12176, 2018.
[18]
S. Xia et al., "Nonlinear Oxidation Behavior in Pure Ni and Ni-Containing Entropic Alloys (vol 5, 53, 2018)," FRONTIERS IN MATERIALS, vol. 5, 2018.
[19]
S. Xia et al., "Nonlinear oxidation behavior in pure Ni and Ni-containing entropic alloys," Frontiers in Materials, vol. 5, 2018.
[20]
C. M. Lousada och P. . A. Korzhavyi, "The first stages of oxide growth at the low index Al surfaces (100), (110), (111) : clusters and stripes vs. homogeneous growth," Physical Chemistry, Chemical Physics - PCCP, vol. 20, no. 46, s. 29549-29557, 2018.
[21]
C. M. Lousada, A. J. Johansson och P. . A. Korzhavyi, "Molecular and dissociative adsorption of water and hydrogen sulfide at perfect and defective Cu(110) surfaces," Physical Chemistry, Chemical Physics - PCCP, vol. 19, s. 8111-8120, 2017.
[22]
C. M. Lousada, A. J. Johansson och P. A. Korzhavyi, "Molecular and dissociative adsorption of water at a defective Cu(110) surface," Surface Science, vol. 658, s. 1-8, 2017.
[23]
C. M. Lousada et al., "Synthesis of copper hydride (CuH) from CuCO3·Cu(OH)2 – a path to electrically conductive thin films of Cu," Dalton Transactions, vol. 46, no. 20, s. 6533-6543, 2017.
[24]
C. M. Lousada et al., "Gamma radiation induces hydrogen absorption by copper in water," Scientific Reports, vol. 6, 2016.
[25]
C. M. Lousada och P. A. Korzhavyi, "Surface Chemistry of Oxygen on Aluminum-Performance of the Density Functionals : PBE, PBE0, M06, and M06-L," Journal of Computational Chemistry, vol. 37, no. 9, s. 787-794, 2016.
[26]
C. M. Lousada, T. Brinck och M. Jonsson, "Application of reactivity descriptors to the catalytic decomposition of hydrogen peroxide at oxide surfaces," Computational and Theoretical Chemistry, vol. 1070, s. 108-116, 2015.
[27]
Y. Li et al., "Bond Network Topology and Antiferroelectric Order in Cuprice CuOH," Inorganic Chemistry, vol. 54, no. 18, s. 8969-8977, 2015.
[28]
C. M. Lousada och P. A. Korzhavyi, "Oxygen adsorption onto pure and doped Al surfaces - the role of surface dopants," Physical Chemistry, Chemical Physics - PCCP, vol. 17, no. 3, s. 1667-1679, 2015.
[29]
C. M. Lousada, A. J. Johansson och P. A. Korzhavyi, "Thermodynamics of H2O Splitting and H-2 Formation at the Cu(110)-Water Interface," The Journal of Physical Chemistry C, vol. 119, no. 25, s. 14102-14113, 2015.
[30]
Y. Li, P. C. M. Lousada och P. Korzhavy, "Electronic structures and optical properties of cuprous oxide and hydroxide," Materials Research Society Symposium Proceedings, vol. 1675, s. 185-190, 2014.
[31]
Y. Li, C. M. Lousada och P. A. Korzhavyi, "The nature of hydrogen in gamma-alumina," Journal of Applied Physics, vol. 115, no. 20, s. 203514, 2014.
[32]
C. M. Lousada et al., "Catalytic decomposition of hydrogen peroxide on transition metal and lanthanide oxides," Journal of Molecular Catalysis A : Chemical, vol. 379, s. 178-184, 2013.
[33]
C. M. Lousada, J. A. LaVerne och M. Jonsson, "Enhanced hydrogen formation during the catalytic decomposition of H2O2 on metal oxide surfaces in the presence of HO radical scavengers," Physical Chemistry, Chemical Physics - PCCP, vol. 15, no. 30, s. 12674-12679, 2013.
[34]
C. M. Lousada, M. Trummer och M. Jonsson, "Reactivity of H2O2 towards different UO2-based materials : The relative impact of radiolysis products revisited," Journal of Nuclear Materials, vol. 434, no. 1/3, s. 434-439, 2013.
[35]
C. M. Lousada Patricio et al., "Reactivity of metal oxide clusters with hydrogen peroxide and water : a DFT study evaluating the performance of different exchange-correlation functionals," Physical Chemistry, Chemical Physics - PCCP, vol. 15, no. 15, s. 5539-5552, 2013.
[36]
V. Diesen, C. Lousada och A. Fischer, "A hydrogen sulfate salt of chlordiazepoxide," Acta Crystallographica Section E : Structure Reports Online, vol. 68, no. 7, s. o2091-o2092, 2012.
[37]
C. M. Lousada et al., "Mechanism of H2O2 Decomposition on Transition Metal Oxide Surfaces," The Journal of Physical Chemistry C, vol. 116, no. 17, s. 9533-9543, 2012.
[38]
R. Pehrman et al., "On the redox reactivity of doped UO2 pellets - Influence of dopants on the H2O2 decomposition mechanism," Journal of Nuclear Materials, vol. 430, no. 1-3, s. 6-11, 2012.
[39]
C. M. Lousada och M. Jonsson, "Kinetics, Mechanism, and Activation Energy of H2O2 Decomposition on the Surface of ZrO2," The Journal of Physical Chemistry C, vol. 114, no. 25, s. 11202-11208, 2010.
[40]
C. M. Lousada et al., "Experimental and Molecular Dynamics Simulation Study of the Sublimation and Vaporization Energetics of Iron Metalocenes. Crystal Structures of Fe(η5-C5H4CH3)2 andFe[(η5-(C5H5)(η5-C5H4CHO)]," Journal of Physical Chemistry A, vol. 112, s. 2977-2987, 2008.
Konferensbidrag
[41]
P. . A. Korzhavyi et al., "Exploring configurational degrees of freedom in disordered solids," i International Conference of Computational Methods in Sciences and Engineering 2018 (ICCMSE 2018), 2018.
Icke refereegranskade
Konferensbidrag
[42]
Kapitel i böcker
[43]
S. Masood Hafez Haghighat et al., "Discrete Models : Down to Atoms and Electrons," i Handbook of Software Solutions for ICME, Weinheim, Germany : Wiley-VCH Verlagsgesellschaft, 2016, s. 385-431.
Avhandlingar
[44]
C. M. Lousada Patrício, "Reactions of aqueous radiolysis products with oxide surfaces : An experimental and DFT study," Doktorsavhandling Stockholm : KTH Royal Institute of Technology, Trita-CHE-Report, 2013:12, 2013.
Övriga
[45]
[46]
[47]
R. Pehrman et al., "On the redox reactivity of doped UO2 pellets : Influence of dopants on the H2O2 decomposition mechanism.," (Manuskript).
Senaste synkning med DiVA:
2024-04-21 02:07:41