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Activation and dissociation of CO2 on the (001), (011), and (111) surfaces of mackinawite (FeS): A dispersion-corrected DFT study

The Journal of chemical physics, 2015-09, Vol.143 (9), p.094703-094703

2015

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Adsorption of methylamine on mackinawite (FES) surfaces: a density functional theory study

The Journal of chemical physics, 2013-09, Vol.139 (12), p.124708-124708

2013

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The Carbonate-catalyzed Transesterification of Sunflower Oil for Biodiesel Production: in situ Monitoring and Density Functional Theory Calculations

South African journal of chemistry, 2021, Vol.74

2021

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Computational study of the interactions of small molecules with the surfaces of iron-bearing minerals

Dzade, N Y

2014

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DFT-D2 simulations of water adsorption and dissociation on the low-index surfaces of mackinawite (FeS)

The Journal of chemical physics, 2016-05, Vol.144 (17), p.174704-174704

2016

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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, 2016-09, Vol.120 (38), p.21441-21450

2016

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Experimental and Theoretical Study into Interface Structure and Band Alignment of the Cu 2 Zn 1– x Cd x SnS 4 Heterointerface for Photovoltaic Applications

ACS applied energy materials, 2020-06, Vol.3 (6), p.5153-5162

2020

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Experimental and Theoretical Study into Interface Structure and Band Alignment of the Cu2Zn1-x Cd x SnS4 Heterointerface for Photovoltaic Applications

ACS applied energy materials, 2020-06, Vol.3 (6), p.5153-5162

2020

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Experimental and Theoretical Study into Interface Structure and Band Alignment of the Cu2Zn1–xCdxSnS4 Heterointerface for Photovoltaic Applications

ACS applied energy materials, 2020-06, Vol.3 (6), p.5153-5162

2020

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Fabrication of ZnO Scaffolded CdS Nanostructured Photoanodes with Enhanced Photoelectrochemical Water Splitting Activity under Visible Light

Langmuir, 2024-04, Vol.40 (13), p.6884-6897

2024

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Facile green synthesis of magnesium oxide nanoparticles using tea (Camellia sinensis) extract for efficient photocatalytic degradation of methylene blue dye

Environmental technology & innovation, 2022-11, Vol.28, p.102746, Article 102746

2022

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Hydrothermal Synthesis of Metal Oxide Composite Cathode Materials for High Energy Application

Chemically Deposited Nanocrystalline Metal Oxide Thin Films, 2021, p.489-508

2021

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Lead-Free Cs 2 AgBiCl 6 Double Perovskite: Experimental and Theoretical Insights into the Self-Trapping for Optoelectronic Applications

ACS Physical Chemistry Au, 2024-09, Vol.4 (5), p.476-489

2024

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Lead-Free Cs2AgBiCl6 Double Perovskite: Experimental and Theoretical Insights into the Self-Trapping for Optoelectronic Applications

ACS Physical Chemistry Au, 2024-09, Vol.4 (5), p.476-489

2024

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Novel Au/Cu 2 NiSnS 4 Nano-Heterostructure: Synthesis, Structure, Heterojunction Band Offset and Alignment, and Interfacial Charge Transfer Dynamics

ACS applied materials & interfaces, 2024-05, Vol.16 (17), p.21746-21756

2024

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Novel Au/Cu2NiSnS4 Nano-Heterostructure: Synthesis, Structure, Heterojunction Band Offset and Alignment, and Interfacial Charge Transfer Dynamics

ACS applied materials & interfaces, 2024-05, Vol.16 (17), p.21746-21756

2024

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Porous carbon derived from Zea mays cobs as excellent electrodes for supercapacitor applications

Open Journal of Analytical and Bioanalytical Chemistry, 2023-02, Vol.7 (1), p.1-10

2023

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Revealing the electronic structure, heterojunction band offset and alignment of Cu 2 ZnGeSe 4 : a combined experimental and computational study towards photovoltaic applications

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (15), p.9553-9560

2021

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Revealing the electronic structure, heterojunction band offset and alignment of Cu2ZnGeSe4: a combined experimental and computational study towards photovoltaic applications

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (15), p.9553-9560

2021

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Revealing the electronic structure, heterojunction band offset and alignment of CuZnGeSe: a combined experimental and computational study towards photovoltaic applications

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (15), p.9553-956

2021

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Solution-processed Cd-substituted CZTS nanocrystals for sensitized liquid junction solar cells

Journal of alloys and compounds, 2022-01, Vol.890, p.161575, Article 161575

2022

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Surface and shape modification of mackinawite (FeS) nanocrystals by cysteine adsorption: a first-principles DFT-D2 study

Physical chemistry chemical physics : PCCP, 2016-11, Vol.18 (47), p.327-322

2016

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The surface chemistry of NO x on mackinawite (FeS) surfaces: a DFT-D2 study

Physical chemistry chemical physics : PCCP, 2014, Vol.16 (29), p.15444-15456

2014

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The surface chemistry of NO(x) on mackinawite (FeS) surfaces: a DFT-D2 study

Physical chemistry chemical physics : PCCP, 2014-08, Vol.16 (29), p.15444-15456

2014

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Synthesis and Interface Engineering in Heterojunctions of Tin-Selenide-Based Nanostructures for Photoelectrochemical Water Splitting

ACS applied nano materials, 2024-01, Vol.7 (2), p.1986-1999

2024

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Activation and dissociation of CO2 on the (001), (011), and (111) surfaces of mackinawite (FeS): A dispersion-corrected DFT study

Adsorption of methylamine on mackinawite (FES) surfaces: a density functional theory study

The Carbonate-catalyzed Transesterification of Sunflower Oil for Biodiesel Production: in situ Monitoring and Density Functional Theory Calculations

Computational study of the interactions of small molecules with the surfaces of iron-bearing minerals

DFT-D2 simulations of water adsorption and dissociation on the low-index surfaces of mackinawite (FeS)

DFT-D2 Study of the Adsorption and Dissociation of Water on Clean and Oxygen-Covered {001} and {011} Surfaces of Mackinawite (FeS)

Experimental and Theoretical Study into Interface Structure and Band Alignment of the Cu 2 Zn 1– x Cd x SnS 4 Heterointerface for Photovoltaic Applications

Experimental and Theoretical Study into Interface Structure and Band Alignment of the Cu2Zn1-x Cd x SnS4 Heterointerface for Photovoltaic Applications

Experimental and Theoretical Study into Interface Structure and Band Alignment of the Cu2Zn1–xCdxSnS4 Heterointerface for Photovoltaic Applications

Fabrication of ZnO Scaffolded CdS Nanostructured Photoanodes with Enhanced Photoelectrochemical Water Splitting Activity under Visible Light

Facile green synthesis of magnesium oxide nanoparticles using tea (Camellia sinensis) extract for efficient photocatalytic degradation of methylene blue dye

Hydrothermal Synthesis of Metal Oxide Composite Cathode Materials for High Energy Application

Lead-Free Cs 2 AgBiCl 6 Double Perovskite: Experimental and Theoretical Insights into the Self-Trapping for Optoelectronic Applications

Lead-Free Cs2AgBiCl6 Double Perovskite: Experimental and Theoretical Insights into the Self-Trapping for Optoelectronic Applications

Novel Au/Cu 2 NiSnS 4 Nano-Heterostructure: Synthesis, Structure, Heterojunction Band Offset and Alignment, and Interfacial Charge Transfer Dynamics

Novel Au/Cu2NiSnS4 Nano-Heterostructure: Synthesis, Structure, Heterojunction Band Offset and Alignment, and Interfacial Charge Transfer Dynamics

Porous carbon derived from Zea mays cobs as excellent electrodes for supercapacitor applications

Revealing the electronic structure, heterojunction band offset and alignment of Cu 2 ZnGeSe 4 : a combined experimental and computational study towards photovoltaic applications

Revealing the electronic structure, heterojunction band offset and alignment of Cu2ZnGeSe4: a combined experimental and computational study towards photovoltaic applications

Revealing the electronic structure, heterojunction band offset and alignment of CuZnGeSe: a combined experimental and computational study towards photovoltaic applications

Solution-processed Cd-substituted CZTS nanocrystals for sensitized liquid junction solar cells

Surface and shape modification of mackinawite (FeS) nanocrystals by cysteine adsorption: a first-principles DFT-D2 study

The surface chemistry of NO x on mackinawite (FeS) surfaces: a DFT-D2 study

The surface chemistry of NO(x) on mackinawite (FeS) surfaces: a DFT-D2 study

Synthesis and Interface Engineering in Heterojunctions of Tin-Selenide-Based Nanostructures for Photoelectrochemical Water Splitting

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