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Harnessing the unusually strong improvement of thermoelectric performance of AgInTe2 with nanostructuring

Journal of materials chemistry. A, Materials for energy and sustainability, 2023-08, Vol.11 (31), p.16734-16742

2023

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Water-Gas Shift Reaction on a Highly Active Inverse CeOx/Cu(111) Catalyst: Unique Role of Ceria Nanoparticles

Angewandte Chemie (International ed.), 2009-01, Vol.48 (43), p.8047-8050

2009

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Unraveling the role of chemical composition in the lattice thermal conductivity of oxychalcogenides as thermoelectric materials

Journal of materials chemistry. A, Materials for energy and sustainability, 2022-09, Vol.1 (37), p.19941-19952

2022

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High Water−Gas Shift Activity in TiO2(110) Supported Cu and Au Nanoparticles: Role of the Oxide and Metal Particle Size

Journal of physical chemistry. C, 2009-04, Vol.113 (17), p.7364-7370

2009

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Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 Nanoclusters

Journal of chemical theory and computation, 2010-09, Vol.6 (9), p.2856-2865

2010

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Direct vs Indirect Mechanisms for Electron Injection in Dye-Sensitized Solar Cells

Journal of physical chemistry. C, 2011-06, Vol.115 (22), p.11293-11301

2011

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Photo-sensitizing thin-film ferroelectric oxides using materials databases and high-throughput calculations

Journal of materials chemistry. A, Materials for energy and sustainability, 2019, Vol.7 (48), p.27323-27333

2019

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Molecular dynamics simulations of the role of salinity and temperature on the hydrocarbon/water interfacial tension

Theoretical chemistry accounts, 2017-06, Vol.136 (6), p.1-6, Article 66

2017

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Electronic structure and adsorption geometry of Pt and Pd metal complexes with 1,3-dithiole-2-thione-4,5-dithiolate ligand on TiO2(101) surface from first-principles calculations

Theoretical chemistry accounts, 2019-07, Vol.138 (7), p.1-11, Article 88

2019

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Carbon Doping of the TiO2 (110) Rutile Surface. A Theoretical Study Based on DFT

Chemistry of materials, 2009-04, Vol.21 (8), p.1431-1438

2009

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First-principles study of nickel complex with 1,3-dithiole-2-thione-4,5-dithiolate ligands as model photosensitizers

Theoretical chemistry accounts, 2017-06, Vol.136 (6), p.1-9, Article 71

2017

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Nitrogen/gold codoping of the TiO2(101) anatase surface. A theoretical study based on DFT calculations

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (23), p.11340-11350

2011

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Coumarin derivatives for dye sensitized solar cells: a TD-DFT study

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (1), p.225-233

2012

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Effect of dispersion correction on the Au(1 1 1)-H2O interface: a first-principles study

The Journal of chemical physics, 2012-09, Vol.137 (11), p.114709-114709

2012

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Catalytic activity of PtCu intermetallic compound for CO oxidation: A theoretical insight

Catalysis today, 2022-01, Vol.383, p.339-344

2022

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Designing a new generation of catalysts: Water gas shift reaction example

Catalysis today, 2015-02, Vol.240 (PB), p.214-219

2015

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Coumarin derivatives for dye sensitized solar cells: a TD-DFT study

Physical chemistry chemical physics : PCCP, 2012, Vol.14 (1), p.225-233

2012

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Gold, Copper, and Platinum Nanoparticles Dispersed on CeOx/TiO2(110) Surfaces: High Water-Gas Shift Activity and the Nature of the Mixed-Metal Oxide at the Nanometer Level

Journal of the American Chemical Society, 2010-01, Vol.132 (1)

2010

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Conversion of CO2 to Methanol and Ethanol on Pt/CeOx/TiO2(110): Enabling Role of Water in C–C Bond Formation

ACS catalysis, 2022-11, Vol.12

2022

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Simulating the optical properties of CdSe clusters using the RT-TDDFT approach

Theoretical chemistry accounts, 2013-04, Vol.132 (4), Article 1342

2013

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Gold Nanoparticles on Yttrium Modified Titania: Support Properties and Catalytic Activity

Topics in catalysis, 2011-03, Vol.54 (1-4), p.219-228

2011

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Electron Mobility via Polaron Hopping in Bulk Ceria: A First-Principles Study

Journal of physical chemistry. C, 2013-07, Vol.117 (28), p.14502-14509

2013

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Water‐Gas Shift Reaction on a Highly Active Inverse CeO x /Cu(111) Catalyst: Unique Role of Ceria Nanoparticles

Angewandte Chemie International Edition, 2009-10, Vol.48 (43), p.8047-8050

2009

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Unraveling the Nature of the Oxide–Metal Interaction in Ceria-Based Noble Metal Inverse Catalysts

Journal of physical chemistry. C, 2014-11, Vol.118 (46), p.26931-26938

2014

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Effect of interface structure on the Ru on HfO2 work function

Journal of materials science, 2010-09, Vol.45 (18), p.4924-4928

2010

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Harnessing the unusually strong improvement of thermoelectric performance of AgInTe2 with nanostructuring

Water-Gas Shift Reaction on a Highly Active Inverse CeOx/Cu(111) Catalyst: Unique Role of Ceria Nanoparticles

Unraveling the role of chemical composition in the lattice thermal conductivity of oxychalcogenides as thermoelectric materials

High Water−Gas Shift Activity in TiO2(110) Supported Cu and Au Nanoparticles: Role of the Oxide and Metal Particle Size

Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 Nanoclusters

Direct vs Indirect Mechanisms for Electron Injection in Dye-Sensitized Solar Cells

Photo-sensitizing thin-film ferroelectric oxides using materials databases and high-throughput calculations

Molecular dynamics simulations of the role of salinity and temperature on the hydrocarbon/water interfacial tension

Electronic structure and adsorption geometry of Pt and Pd metal complexes with 1,3-dithiole-2-thione-4,5-dithiolate ligand on TiO2(101) surface from first-principles calculations

Carbon Doping of the TiO2 (110) Rutile Surface. A Theoretical Study Based on DFT

First-principles study of nickel complex with 1,3-dithiole-2-thione-4,5-dithiolate ligands as model photosensitizers

Nitrogen/gold codoping of the TiO2(101) anatase surface. A theoretical study based on DFT calculations

Coumarin derivatives for dye sensitized solar cells: a TD-DFT study

Effect of dispersion correction on the Au(1 1 1)-H2O interface: a first-principles study

Catalytic activity of PtCu intermetallic compound for CO oxidation: A theoretical insight

Designing a new generation of catalysts: Water gas shift reaction example

Coumarin derivatives for dye sensitized solar cells: a TD-DFT study

Gold, Copper, and Platinum Nanoparticles Dispersed on CeOx/TiO2(110) Surfaces: High Water-Gas Shift Activity and the Nature of the Mixed-Metal Oxide at the Nanometer Level

Conversion of CO2 to Methanol and Ethanol on Pt/CeOx/TiO2(110): Enabling Role of Water in C–C Bond Formation

Simulating the optical properties of CdSe clusters using the RT-TDDFT approach

Gold Nanoparticles on Yttrium Modified Titania: Support Properties and Catalytic Activity

Electron Mobility via Polaron Hopping in Bulk Ceria: A First-Principles Study

Water‐Gas Shift Reaction on a Highly Active Inverse CeO x /Cu(111) Catalyst: Unique Role of Ceria Nanoparticles

Unraveling the Nature of the Oxide–Metal Interaction in Ceria-Based Noble Metal Inverse Catalysts

Effect of interface structure on the Ru on HfO2 work function

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