Nicola Seriani: search on Z-Library

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1

Structure-property relationship of π-extended boron-dipyrromethene derivatives towards optoelectronic applications

Songkhao, Jittikarn, Banerjee, Rajdeep, Debnath, Saikat, Narasimhan, Shobhana, Wannaprom, Napaporn, Vanalabhpatana, Parichatr, Seriani, Nicola, Gebauer, Ralph, Thamyongkit, Patchanita

Journal:

Dyes and Pigments

Year:

2017

Language:

english

File:

PDF, 2.62 MB

english, 2017

2

Dissociative Adsorption of Methane on Surface Oxide Structures of Pd−Pt Alloys

Dianat, Arezoo, Seriani, Nicola, Ciacchi, Lucio Colombi, Pompe, Wolfgang, Cuniberti, Gianaurelio, Bobeth, Manfred

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 2.26 MB

english, 2009

3

TiO2 anatase's bulk and (001) surface, structural and electronic properties: A DFT study on the importance of Hubbard and van der Waals contributions

Araujo-Lopez, Eduard, Varilla, Luis Alcala, Seriani, Nicola, Montoya, Javier A.

Journal:

Surface Science

Year:

2016

Language:

english

File:

PDF, 1.66 MB

english, 2016

4

Sodium Promoter Inducing a Phase Change in a Palladium Catalyst

Seriani, Nicola

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 4.74 MB

english, 2012

5

DFT study of reaction processes of methane combustion on PdO(100)

Dianat, Arezoo, Seriani, Nicola, Ciacchi, Lucio Colombi, Bobeth, Manfred, Cuniberti, Gianaurelio

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.65 MB

english, 2014

6

Carbon in palladium catalysts: A metastable carbide

Seriani, Nicola, Mittendorfer, Florian, Kresse, Georg

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 800 KB

english, 2010

7

DFT Study of the Thermodynamic Stability of Pd−Pt Bulk Oxide Phases

Dianat, Arezoo, Seriani, Nicola, Bobeth, Manfred, Pompe, Wolfgang, Ciacchi, Lucio Colombi

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 956 KB

english, 2008

8

A Unified Picture of Water Oxidation on Bare and Gallium Oxide-Covered Hematite from Density Functional Theory

Ulman, Kanchan, Nguyen, Manh-Thuong, Seriani, Nicola, Piccinin, Simone, Gebauer, Ralph

Journal:

Year:

2017

Language:

english

File:

PDF, 11.91 MB

english, 2017

9

Learning from Nature: Charge Transfer and Carbon Dioxide Activation at Single, Biomimetic Fe Sites in Tetrapyrroles on Graphene

Corva, Manuel, Mohamed, Fatema, Tomsic, Erika, Rinaldi, Matteo, Cepek, Cinzia, Seriani, Nicola, Peressi, Maria, Vesselli, Erik

Journal:

The Journal of Physical Chemistry C

Year:

2019

File:

PDF, 1.72 MB

2019

10

Investigation of optoelectronic properties of triphenylamine-based dyes featuring heterocyclic anchoring groups for DSSCsâ applications: a theoretical study

Deogratias, Geradius, Al-Qurashi, Ohoud S., Wazzan, Nuha, Seriani, Nicola, Pogrebnaya, Tatiana, Pogrebnoi, Alexander

Journal:

Structural Chemistry

Year:

2020

File:

PDF, 1.43 MB

2020

11

Methylammonium tin iodide perovskite: structural, electronic and thermodynamic properties by a DFT study with different exchangeâcorrelation functionals

Paschal, Catherine, Pogrebnoi, Alexander, Pogrebnaya, Tatiana, Seriani, Nicola

Journal:

SN Applied Sciences

Year:

2020

Language:

english

File:

PDF, 5.72 MB

english, 2020

12

Ab initio thermodynamics of lithium oxides: from bulk phases to nanoparticles

Seriani, Nicola

Journal:

Year:

2009

Language:

english

File:

PDF, 793 KB

english, 2009

13

Presence of Gap States at Cu/TiO 2 Anatase Surfaces: Consequences for the Photocatalytic Activity

Seriani, Nicola, Pinilla, Carlos, Crespo, Yanier

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 2.34 MB

english, 2015

14

Ultrahigh carrier mobility of penta-graphene: A first-principle study

Deb, Jyotirmoy, Seriani, Nicola, Sarkar, Utpal

Journal:

Physica E: Low-dimensional Systems and Nanostructures

Year:

2020

File:

PDF, 2.49 MB

2020

15

The surface oxide: A LEED, DFT and STM study

Petr Kostelník, Nicola Seriani, Georg Kresse, Anders Mikkelsen, Edvin Lundgren, Volker Blum, Tomáš Šikola, Peter Varga, Michael Schmid

Journal:

Surface Science

Year:

2007

Language:

english

File:

PDF, 911 KB

english, 2007

16

Defective α-Fe 2 O 3 (0001): An ab Initio Study

Nguyen, Manh-Thuong, Seriani, Nicola, Gebauer, Ralph

Journal:

Year:

2014

Language:

english

File:

PDF, 622 KB

english, 2014

17

Photo-Oxidation of Water on Defective Hematite(0001)

Nguyen, Manh-Thuong, Piccinin, Simone, Seriani, Nicola, Gebauer, Ralph

Journal:

Year:

2015

Language:

english

File:

PDF, 281 KB

english, 2015

18

CO 2 conversion to methanol on Cu( i ) oxide nanolayers and clusters: an electronic structure insight into the reaction mechanism

Uzunova, Ellie L., Seriani, Nicola, Mikosch, Hans

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.87 MB

english, 2015

19

Ab initio simulations of water splitting on hematite

Seriani, Nicola

Journal:

Journal of Physics Condensed Matter

Year:

2017

Language:

english

File:

PDF, 875 KB

english, 2017

20

Photo-driven oxidation of water on α-Fe2O3 surfaces: An ab initio study

Nguyen, Manh-Thuong, Seriani, Nicola, Piccinin, Simone, Gebauer, Ralph

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 816 KB

english, 2014

21

Back Cover: Defective α-Fe 2 O 3 (0001): An ab Initio Study (ChemPhysChem 14/2014)

Nguyen, Manh-Thuong, Seriani, Nicola, Gebauer, Ralph

Journal:

Year:

2014

File:

PDF, 931 KB

2014

22

Heterostructures of Îµ-Fe 2 O 3 and Î±-Fe 2 O 3 : insights from density functional theory

Ahamed, Imran, Seriani, Nicola, Gebauer, Ralph, Kashyap, Arti

Journal:

Year:

2020

File:

PDF, 880 KB

2020

23

Effects of Al-doping on the properties of Li–Mn–Ni–O cathode materials for Li-ion batteries: an ab initio study

Dianat, Arezoo, Seriani, Nicola, Bobeth, Manfred, Cuniberti, Gianaurelio

Journal:

Journal of Materials Chemistry A

Year:

2013

Language:

english

File:

PDF, 908 KB

english, 2013

24

Magnetoelectric ϵ -Fe 2 O 3 : DFT study of a potential candidate for electrode material in photoelectrochemical cells

Ahamed, Imran, Ulman, Kanchan, Seriani, Nicola, Gebauer, Ralph, Kashyap, Arti

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 4.46 MB

english, 2018

25

Quasi‐Particle and Optical Properties of Hydrogen Titanate and its Defective Systems: An Investigation by DFT+U, GW, and BSE

Elsayed, Wala, Abdalla, Sahar, Seriani, Nicola

Journal:

physica status solidi (b)

Year:

2019

Language:

english

File:

PDF, 1.43 MB

english, 2019

26

A first-principles study of bulk oxide formation on Pd(100)

Seriani, Nicola, Harl, Judith, Mittendorfer, Florian, Kresse, Georg

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 762 KB

english, 2009

27

Ab-initio Simulation of the Effects of Hydrogen Concentration on Anatase TiO 2

Ataei, Samaneh Seyedeh, Mohammadizadeh, Mohammad Reza, Seriani, Nicola

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 406 KB

english, 2016

28

α-MnO2 under pressure: Possible route to δ-MnO2

Alam, Khorsed, Seriani, Nicola, Sen, Prasenjit

Journal:

Materials Research Express

Year:

2019

Language:

english

File:

PDF, 1.93 MB

english, 2019

29

Ab initio study of element segregation and oxygen adsorption on PtPd and CoCr binary alloy surfaces

Arezoo Dianat, Janina Zimmermann, Nicola Seriani, Manfred Bobeth, Wolfgang Pompe, Lucio Colombi Ciacchi

Journal:

Surface Science

Year:

2008

Language:

english

File:

PDF, 256 KB

english, 2008

30

Raman and IR signature of pristine and BN- doped γ-graphyne from first-principle

Bhattacharya, Barnali, Seriani, Nicola, Sarkar, Utpal

Journal:

Year:

2018

Language:

english

File:

PDF, 1.51 MB

english, 2018

31

Catalytic properties of Î±-MnO 2 for Liâair battery cathodes: a density functional investigation

Alam, Khorsed, Seriani, Nicola, Sen, Prasenjit

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 2.65 MB

2020

32

Passivation of surface states of α -Fe 2 O 3 (0001) surface by deposition of Ga 2 O 3 overlayers: A density functional theory study

Ulman, Kanchan, Nguyen, Manh-Thuong, Seriani, Nicola, Gebauer, Ralph

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 3.04 MB

english, 2016

33

Mechanism of formaldehyde and formic acid formation on (101)-TiO 2 @Cu 4 system through CO 2 hydrogenation

Singh, Deobrat, Gupta, Sanjeev Kumar, Seriani, Nicola, LukaÄeviÄ, Igor, Sonvane, Yogesh, Gajjar, P N, Ahuja, Rajeev

Journal:

Sustainable Energy Fuels

Year:

2021

File:

PDF, 2.48 MB

2021

34

Nitrogen electrochemically reduced to ammonia with hematite: density-functional insights

Nguyen, Manh-Thuong, Seriani, Nicola, Gebauer, Ralph

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.06 MB

english, 2015

35

Electronic Properties of Homo and Hetero Bilayer Graphyne: The Idea of a Nanocapacitor

Bhattacharya, Barnali, Sarkar, Utpal, Seriani, Nicola

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 2.81 MB

english, 2016

36

Characterization of peroxo reaction intermediates in the water oxidation process on hematite surfaces

Poaty, Lodvert Tchibota, Ulman, Kanchan, Seriani, Nicola, M’Passi-Mabiala, Bernard, Gebauer, Ralph

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 2.55 MB

english, 2018

37

Structure and Electronic Properties of Small Silver-Gold Clusters on Titania Photocatalysts for H 2 O 2 Production: An Investigation with Density Functional Theory

Goliaei, Elham Moharramzadeh, Seriani, Nicola

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 2.78 MB

english, 2019

38

Catalytic Oxidation Activity of Pt 3 O 4 Surfaces and Thin Films

Seriani, Nicola, Pompe, Wolfgang, Ciacchi, Lucio Colombi

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 361 KB

english, 2006

39

A lithium peroxide precursor on the α-MnO 2 (100) surface

Crespo, Yanier, Seriani, Nicola

Journal:

Journal of Materials Chemistry A

Year:

2014

Language:

english

File:

PDF, 957 KB

english, 2014

40

Structural and Electronic Properties of Na 2 Ti 3 O 7 and H 2 Ti 3 O 7

Abass, Sara A. H., Seriani, Nicola

Journal:

physica status solidi (b)

Year:

2018

Language:

english

File:

PDF, 1.02 MB

english, 2018

41

A Density Functional Theory Study of Water Photo-Oxidation at Copper Oxide Nanostructures on the Anatase (101) Surface

Meng'wa, Victor, Makau, Nicholas, Amolo, George, Scandolo, Sandro, Seriani, Nicola

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 1.19 MB

english, 2018

42

A microkinetic model of ammonia decomposition on a Pt overlayer on Au(1 1 1)

Karsten Rasim, Manfred Bobeth, Wolfgang Pompe, Nicola Seriani

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2010

Language:

english

File:

PDF, 1.54 MB

english, 2010

43

Water adsorption and dissociation on α-Fe2O3(0001): PBE+U calculations

Nguyen, Manh-Thuong, Seriani, Nicola, Gebauer, Ralph

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.59 MB

english, 2013

44

Revealing the Li2O2 nucleation mechanisms on CeO2 catalysts for lithiumâoxygen batteries

Cortes, Henry A., Barral, MarÃa A., Seriani, Nicola, Corti, Horacio R., Vildosola, Veronica

Journal:

Year:

2020

File:

PDF, 2.53 MB

2020

45

Understanding the electrochemical double layer at the hematite/water interface: A first principles molecular dynamics study

Ulman, Kanchan, Poli, Emiliano, Seriani, Nicola, Piccinin, Simone, Gebauer, Ralph

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 3.67 MB

english, 2019

46

Ab-Initio Simulations of Copper Oxide Nanowires and Clusters on TiO 2 (101) Anatase Surface

Meng'wa, Victor, Makau, Nicholas, Amolo, George, Scandolo, Sandro, Seriani, Nicola

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 458 KB

english, 2017

47

Unbiased structural search of small copper clusters within DFT

Cogollo-Olivo, Beatriz H., Seriani, Nicola, Montoya, Javier A.

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 607 KB

english, 2015

48

DFT Insights into Electrocatalytic CO 2 Reduction to Methanol on Î± -Fe 2 O 3 (0001) Surfaces

Kumar, Nandha, Seriani, Nicola, Gebauer, Ralph

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 3.34 MB

2020

49

First principle study of sodium decorated graphyne

Sarkar, Utpal, Bhattacharya, Barnali, Seriani, Nicola

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.77 MB

english, 2015

50

Titania-silica mixed oxides investigated with density functional theory and molecular dynamics simulations

Seriani, Nicola, Pinilla, Carlos, Scandolo, Sandro

Journal:

physica status solidi (b)

Year:

2016

Language:

english

File:

PDF, 327 KB

english, 2016

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