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Reaction Pathways for Oxygen Evolution Promoted by Cobalt Catalyst

Journal of the American Chemical Society, 2013-10, Vol.135 (41), p.15353-15363

2013

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A Spotlight on the Compatibility between XFEL and Ab Initio Structures of the Oxygen Evolving Complex in Photosystem II

Chemistry : a European journal, 2017-05, Vol.23 (29), p.6969-6973

2017

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Large‐Area Semi‐Transparent Luminescent Solar Concentrators Based on Large Stokes Shift Aggregation‐Induced Fluorinated Emitters Obtained Through a Sustainable Synthetic Approach

Advanced optical materials, 2021-08, Vol.9 (16), p.n/a

2021

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Deep versus Shallow Behavior of Intrinsic Defects in Rutile and Anatase TiO2 Polymorphs

Journal of physical chemistry. C, 2010-12, Vol.114 (49), p.21694-21704

2010

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A study of the valence photoelectron spectrum of uracil and mixed water–uracil clusters

The Journal of chemical physics, 2023-03, Vol.158 (11), p.114301-114301

2023

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Unravelling molecular interactions in uracil clusters by XPS measurements assisted by ab initio and tight-binding simulations

Scientific reports, 2020-08, Vol.10 (1), p.13081-13081, Article 13081

2020

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First demonstration of the use of open-shell derivatives as organic luminophores for transparent luminescent solar concentrators

Materials advances, 2021-11, Vol.2 (22), p.7369-7378

2021

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Reaction Intermediates in the Photoreduction of Oxygen Molecules at the (101) TiO2 (Anatase) Surface

Journal of the American Chemical Society, 2006-10, Vol.128 (42), p.13772-13780

2006

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Interfacial Engineering of P3HT/ZnO Hybrid Solar Cells Using Phthalocyanines: A Joint Theoretical and Experimental Investigation

Advanced energy materials, 2014-08, Vol.4 (12), p.np-n/a

2014

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Protonation states in a cobalt-oxide catalyst for water oxidation: fine comparison of ab initio molecular dynamics and X-ray absorption spectroscopy results

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (34), p.15437-15441

2011

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A Solution-Processed Tetra-Alkoxylated Zinc Phthalocyanine as Hole Transporting Material for Emerging Photovoltaic Technologies

International journal of photoenergy, 2018-01, Vol.2018, p.1-9

2018

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Synthesis of a novel unsymmetrical Zn(II) phthalocyanine bearing a phenyl ethynyl moiety as sensitizer for dye-sensitized solar cells

Dalton transactions : an international journal of inorganic chemistry, 2011-01, Vol.40 (1), p.38-40

2011

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Ab Initio Simulations of Interfaces between SAM-Modified Gold Electrodes and n‑Type or p‑Type Organic Semiconductors Based on the Benzothieno-Benzothiophene (BTBT) Architecture

Journal of physical chemistry. C, 2020-02, Vol.124 (6), p.3601-3609

2020

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A hybrid zinc phthalocyanine/zinc oxide system for photovoltaic devices: a DFT and TDDFPT theoretical investigation

Journal of materials chemistry, 2012-01, Vol.22 (2), p.44-446

2012

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Atomistic Texture of Amorphous Manganese Oxides for Electrochemical Water Splitting Revealed by Ab Initio Calculations Combined with X‑ray Spectroscopy

Journal of the American Chemical Society, 2015-08, Vol.137 (32), p.10254-10267

2015

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Oxygen vacancies and OH species in rutile and anatase TiO2 polymorphs

Catalysis today, 2009-06, Vol.144 (1-2), p.177-182

2009

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Suzuki–Miyaura Micellar One-Pot Synthesis of Symmetrical and Unsymmetrical 4,7-Diaryl-5,6-difluoro-2,1,3-benzothiadiazole Luminescent Derivatives in Water and under Air

Journal of organic chemistry, 2018-12, Vol.83 (24), p.15029-15042

2018

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A membrane intercalating metal-free conjugated organic photosensitizer for bacterial photodynamic inactivation

Chemical science (Cambridge), 2023-08, Vol.14 (3), p.8196-825

2023

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Effect of Protonation on the Molecular Structure of Adenosine 5′-Triphosphate: A Combined Theoretical and Near Edge X‑ray Absorption Fine Structure Study

The journal of physical chemistry letters, 2023-11, Vol.14 (45), p.10173-10180

2023

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Early-stage formation of (hydr)oxo bridges in transition-metal catalysts for photosynthetic processes

Catalysis science & technology, 2021-03, Vol.11 (5), p.181-1813

2021

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Opposite Hydrogen Behaviors in GaAsN and InAsN Alloys: Band Gap Opening Versus Donor Doping

Journal of physical chemistry. C, 2020-09, Vol.124 (35), p.19240-19251

2020

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Sustainable by design, large Stokes shift benzothiadiazole derivatives for efficient luminescent solar concentrators

Journal of materials chemistry. C, Materials for optical and electronic devices, 2021-10, Vol.9 (41), p.14815-14826

2021

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Insights into the Thermally Activated Cyclization Mechanism in a Linear Phenylalanine-Alanine Dipeptide

The journal of physical chemistry. B, 2022-04, Vol.126 (16), p.2968-2978

2022

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A Spotlight on the Compatibility between XFEL and Ab Initio Structures of the Oxygen Evolving Complex in PhotosystemII

Chemistry : a European journal, 2017-05, Vol.23 (29), p.6969

2017

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Photocatalytic and Photovoltaic Properties of TiO2 Nanoparticles Investigated by Ab Initio Simulations

Journal of physical chemistry. C, 2014-12, Vol.118 (51), p.29928-29942

2014

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Reaction Pathways for Oxygen Evolution Promoted by Cobalt Catalyst

A Spotlight on the Compatibility between XFEL and Ab Initio Structures of the Oxygen Evolving Complex in Photosystem II

Large‐Area Semi‐Transparent Luminescent Solar Concentrators Based on Large Stokes Shift Aggregation‐Induced Fluorinated Emitters Obtained Through a Sustainable Synthetic Approach

Deep versus Shallow Behavior of Intrinsic Defects in Rutile and Anatase TiO2 Polymorphs

A study of the valence photoelectron spectrum of uracil and mixed water–uracil clusters

Unravelling molecular interactions in uracil clusters by XPS measurements assisted by ab initio and tight-binding simulations

First demonstration of the use of open-shell derivatives as organic luminophores for transparent luminescent solar concentrators

Reaction Intermediates in the Photoreduction of Oxygen Molecules at the (101) TiO2 (Anatase) Surface

Interfacial Engineering of P3HT/ZnO Hybrid Solar Cells Using Phthalocyanines: A Joint Theoretical and Experimental Investigation

Protonation states in a cobalt-oxide catalyst for water oxidation: fine comparison of ab initio molecular dynamics and X-ray absorption spectroscopy results

A Solution-Processed Tetra-Alkoxylated Zinc Phthalocyanine as Hole Transporting Material for Emerging Photovoltaic Technologies

Synthesis of a novel unsymmetrical Zn(II) phthalocyanine bearing a phenyl ethynyl moiety as sensitizer for dye-sensitized solar cells

Ab Initio Simulations of Interfaces between SAM-Modified Gold Electrodes and n‑Type or p‑Type Organic Semiconductors Based on the Benzothieno-Benzothiophene (BTBT) Architecture

A hybrid zinc phthalocyanine/zinc oxide system for photovoltaic devices: a DFT and TDDFPT theoretical investigation

Atomistic Texture of Amorphous Manganese Oxides for Electrochemical Water Splitting Revealed by Ab Initio Calculations Combined with X‑ray Spectroscopy

Oxygen vacancies and OH species in rutile and anatase TiO2 polymorphs

Suzuki–Miyaura Micellar One-Pot Synthesis of Symmetrical and Unsymmetrical 4,7-Diaryl-5,6-difluoro-2,1,3-benzothiadiazole Luminescent Derivatives in Water and under Air

A membrane intercalating metal-free conjugated organic photosensitizer for bacterial photodynamic inactivation

Effect of Protonation on the Molecular Structure of Adenosine 5′-Triphosphate: A Combined Theoretical and Near Edge X‑ray Absorption Fine Structure Study

Early-stage formation of (hydr)oxo bridges in transition-metal catalysts for photosynthetic processes

Opposite Hydrogen Behaviors in GaAsN and InAsN Alloys: Band Gap Opening Versus Donor Doping

Sustainable by design, large Stokes shift benzothiadiazole derivatives for efficient luminescent solar concentrators

Insights into the Thermally Activated Cyclization Mechanism in a Linear Phenylalanine-Alanine Dipeptide

A Spotlight on the Compatibility between XFEL and Ab Initio Structures of the Oxygen Evolving Complex in PhotosystemII

Photocatalytic and Photovoltaic Properties of TiO2 Nanoparticles Investigated by Ab Initio Simulations

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