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Chemical bonding and electronic properties along Group 13 metal oxides

Journal of molecular modeling, 2024-06, Vol.30 (6), p.161, Article 161

2024

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Quasi-one-dimensional van der Waals TiS3 nanosheets for energy storage applications: Theoretical predications and experimental validation

Applied physics letters, 2022-03, Vol.120 (10)

2022

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Oxygen Functionalization-Induced Charging Effect on Boron Active Sites for High-Yield Electrocatalytic NH3 Production

Nano-micro letters, 2022-12, Vol.14 (1), p.214-214, Article 214

2022

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Identification of ORR activity of random graphene-based systems using the general descriptor and predictive model equation

Carbon (New York), 2023-01, Vol.201, p.703-711

2023

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Descriptors and graphical construction for in silico design of efficient and selective single atom catalysts for the eNRR

Chemical science (Cambridge), 2022-08, Vol.13 (34), p.10003-10010

2022

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Electronic Descriptor to Identify the Activity of SACs for E-NRR and Effect of BF 3 as Electrolyte Ion

ChemSusChem, 2024-10, p.e202400902

2024

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Electronic Descriptor to Identify the Activity of SACs for E-NRR and Effect of BF3 as Electrolyte Ion

ChemSusChem, 2024-08, p.e202400902

2024

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Iron phthalocyanine hollow architecture enabled ammonia production via nitrate reduction to achieve 100 % Faradaic efficiency

Applied catalysis. B, Environmental, 2024-04, Vol.343, p.123580, Article 123580

2024

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Scalable Production of Cobalt Phthalocyanine Nanotubes: Efficient and Robust Hollow Electrocatalyst for Ammonia Synthesis at Room Temperature

ACS nano, 2021-03, Vol.15 (3), p.5230-5239

2021

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Inner filter effect on amino-functionalized metal-organic framework for the selective detection of tetracycline

Journal of cleaner production, 2022-11, Vol.373, p.133929, Article 133929

2022

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Understanding the Site‐Selective Electrocatalytic Co‐Reduction Mechanism for Green Urea Synthesis Using Copper Phthalocyanine Nanotubes

Advanced functional materials, 2022-08, Vol.32 (31), p.n/a

2022

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Strengthening the Metal Center of Co–N4 Active Sites in a 1D–2D Heterostructure for Nitrate and Nitrogen Reduction Reaction to Ammonia

ACS sustainable chemistry & engineering, 2023-04, Vol.11 (16), p.6191-6200

2023

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2D/3D heterostructure of h-BN/reduced graphite oxide as a remarkable electrode Material for supercapacitor

Journal of power sources, 2020-12, Vol.479, p.229092, Article 229092

2020

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Lewis acid–dominated aqueous electrolyte acting as co-catalyst and overcoming N2 activation issues on catalyst surface

Proceedings of the National Academy of Sciences - PNAS, 2022-08, Vol.119 (33), p.1-e2204638119

2022

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Energy parameter and electronic descriptor for carbon based catalyst predicted using QM/ML

Applied catalysis. B, Environmental, 2021-06, Vol.286, p.119866, Article 119866

2021

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Enhanced energy storage performance and theoretical studies of 3D cuboidal manganese diselenides embedded with multiwalled carbon nanotubes

Journal of colloid and interface science, 2021-09, Vol.598, p.500-510

2021

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Restricting Anion Migrations by Atomic Layer-Deposited Alumina on Perovskite Nanocrystals while Preserving Structural and Optical Properties

Chemistry of materials, 2024-02, Vol.36 (3), p.1719-1727

2024

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Selective Electrocatalytic Oxidation of Nitrogen to Nitric Acid Using Manganese Phthalocyanine

ACS applied materials & interfaces, 2023-07, Vol.15 (29), p.34642-34650

2023

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Design principle of MoS2/C heterostructure to enhance the quantum capacitance for supercapacitor application

Journal of energy storage, 2021-12, Vol.44, p.103476, Article 103476

2021

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Elucidating the oxygen reduction reaction kinetics on defect engineered nanocarbon electrocatalyst: interplay between the N-dopant and defect sites

Journal of materials chemistry. A, Materials for energy and sustainability, 2023-08, Vol.11 (32), p.1745-1755

2023

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Coordination Structure Modulation in Group-VIB Metal Doped Ag 3 PO 4 Augments Active Site Density for Electrocatalytic Conversion of N 2 to NH 3

Small (Weinheim an der Bergstrasse, Germany), 2024-10, Vol.20 (42), p.e2402006

2024

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Engineering hydrophobic–aerophilic interfaces to boost N2 diffusion and reduction through functionalization of fluorine in second coordination spheres

Chemical science (Cambridge), 2023-08, Vol.14 (33), p.8936-8945

2023

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Lewis acid-dominated aqueous electrolyte acting as co-catalyst and overcoming N 2 activation issues on catalyst surface

Proceedings of the National Academy of Sciences - PNAS, 2022-08, Vol.119 (33), p.e2204638119

2022

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Engineering hydrophobic-aerophilic interfaces to boost N diffusion and reduction through functionalization of fluorine in second coordination spheres

Chemical science (Cambridge), 2023-08, Vol.14 (33), p.8936-8945

2023

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Engineering hydrophobic–aerophilic interfaces to boost N 2 diffusion and reduction through functionalization of fluorine in second coordination spheres

Chemical science (Cambridge), 2023-08, Vol.14 (33), p.8936-8945

2023

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Chemical bonding and electronic properties along Group 13 metal oxides

Quasi-one-dimensional van der Waals TiS3 nanosheets for energy storage applications: Theoretical predications and experimental validation

Oxygen Functionalization-Induced Charging Effect on Boron Active Sites for High-Yield Electrocatalytic NH3 Production

Identification of ORR activity of random graphene-based systems using the general descriptor and predictive model equation

Descriptors and graphical construction for in silico design of efficient and selective single atom catalysts for the eNRR

Electronic Descriptor to Identify the Activity of SACs for E-NRR and Effect of BF 3 as Electrolyte Ion

Electronic Descriptor to Identify the Activity of SACs for E-NRR and Effect of BF3 as Electrolyte Ion

Iron phthalocyanine hollow architecture enabled ammonia production via nitrate reduction to achieve 100 % Faradaic efficiency

Scalable Production of Cobalt Phthalocyanine Nanotubes: Efficient and Robust Hollow Electrocatalyst for Ammonia Synthesis at Room Temperature

Inner filter effect on amino-functionalized metal-organic framework for the selective detection of tetracycline

Understanding the Site‐Selective Electrocatalytic Co‐Reduction Mechanism for Green Urea Synthesis Using Copper Phthalocyanine Nanotubes

Strengthening the Metal Center of Co–N4 Active Sites in a 1D–2D Heterostructure for Nitrate and Nitrogen Reduction Reaction to Ammonia

2D/3D heterostructure of h-BN/reduced graphite oxide as a remarkable electrode Material for supercapacitor

Lewis acid–dominated aqueous electrolyte acting as co-catalyst and overcoming N2 activation issues on catalyst surface

Energy parameter and electronic descriptor for carbon based catalyst predicted using QM/ML

Enhanced energy storage performance and theoretical studies of 3D cuboidal manganese diselenides embedded with multiwalled carbon nanotubes

Restricting Anion Migrations by Atomic Layer-Deposited Alumina on Perovskite Nanocrystals while Preserving Structural and Optical Properties

Selective Electrocatalytic Oxidation of Nitrogen to Nitric Acid Using Manganese Phthalocyanine

Design principle of MoS2/C heterostructure to enhance the quantum capacitance for supercapacitor application

Elucidating the oxygen reduction reaction kinetics on defect engineered nanocarbon electrocatalyst: interplay between the N-dopant and defect sites

Coordination Structure Modulation in Group-VIB Metal Doped Ag 3 PO 4 Augments Active Site Density for Electrocatalytic Conversion of N 2 to NH 3

Engineering hydrophobic–aerophilic interfaces to boost N2 diffusion and reduction through functionalization of fluorine in second coordination spheres

Lewis acid-dominated aqueous electrolyte acting as co-catalyst and overcoming N 2 activation issues on catalyst surface

Engineering hydrophobic-aerophilic interfaces to boost N diffusion and reduction through functionalization of fluorine in second coordination spheres

Engineering hydrophobic–aerophilic interfaces to boost N 2 diffusion and reduction through functionalization of fluorine in second coordination spheres

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