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Theoretical and Computational Chemistry

Working Paper

Dative bonding as a mechanism for enhanced catalysis on the surface of MoS2

Maciej Jan Szary

Version 1 posted 08 February 2023

172

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Theoretical and Computational Chemistry

Working Paper

Development of MoS2 doping strategy for ehanced SO2 detection at room temperature

Emilia Piosik, Maciej Jan Szary

Version 1 posted 18 April 2023

143

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Theoretical and Computational Chemistry

Working Paper

Unveiling the chemical underpinnings behind the enhanced adsorption interaction of NO2 on MoS2, MoSe2, and MoTe2 transition metal dichalcogenides

Maciej Jan Szary, Piotr Radomski

Version 1 posted 18 July 2023

111

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Theoretical and Computational Chemistry

Review

Rashba effect: a chemical physicist's approach

Maciej Jan Szary

Version 1 posted 01 September 2023

206

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Theoretical and Computational Chemistry

Working Paper

Transition metals vs. chalcogens: the impact on NOx adsorption on MoS2, MoSe2 and WS2 transition-metal dichalcogenides

Piotr Radomski, Maciej Szary

Version 1 posted 17 January 2024

113

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Computational study of the intercalation of NO2 between bilayer MoTe2

Maciej Jan Szary

Version 2 posted 06 September 2022

188

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Materials Science

Working Paper

Enhancing Surface Activity in MoTe2 Monolayers through P-Block Doping: A Comprehensive DFT Investigation

Dominik Florjan, Maciej Szary

Version 1 posted 14 December 2023

80

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Theoretical and Computational Chemistry

Working Paper

Unlocking the chemistry of graphene: the impact of charge carrier concentration on molecular adsorption on graphene

Maciej J. Szary

Version 1 posted 06 June 2024

60

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Theoretical and Computational Chemistry

Working Paper

Toward High Selectivity of Sensor Arrays: Enhanced Adsorption Interaction and Selectivity of Gas Detection (N2, O2, NO, CO, CO2, NO2, SO2, AlH3, NH3, and PH3) on Transition Metal Dichalcogenides (MoS2, MoSe2, and MoTe2)

Maciej Jan Szary

Version 1 posted 22 February 2024

132

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9 results in Maciej Szary in Authors: Maciej Szary

Dative bonding as a mechanism for enhanced catalysis on the surface of MoS2

Development of MoS2 doping strategy for ehanced SO2 detection at room temperature

Unveiling the chemical underpinnings behind the enhanced adsorption interaction of NO2 on MoS2, MoSe2, and MoTe2 transition metal dichalcogenides

Rashba effect: a chemical physicist's approach

Transition metals vs. chalcogens: the impact on NOx adsorption on MoS2, MoSe2 and WS2 transition-metal dichalcogenides

Computational study of the intercalation of NO2 between bilayer MoTe2

Enhancing Surface Activity in MoTe2 Monolayers through P-Block Doping: A Comprehensive DFT Investigation

Unlocking the chemistry of graphene: the impact of charge carrier concentration on molecular adsorption on graphene

Toward High Selectivity of Sensor Arrays: Enhanced Adsorption Interaction and Selectivity of Gas Detection (N2, O2, NO, CO, CO2, NO2, SO2, AlH3, NH3, and PH3) on Transition Metal Dichalcogenides (MoS2, MoSe2, and MoTe2)

9 results in Authors: Maciej Szary