Enhancing Surface Activity in MoTe2 Monolayers through P-Block Doping: A Comprehensive DFT Investigation DOI Creative Commons
Dominik M. Florjan, Maciej J. Szary

Опубликована: Дек. 14, 2023

Molybdenum ditelluride (MoTe2), a member of the transition metal dichalcogenides (TMDs), has recently garnered significant attention in fast growing fields two-dimensional electronics. However, despite its advantages, intrinsic properties MoTe2, like low chemical activity basal plane, also resulted several technological challenges. To overcome these limitations, methods have been explored, with single atom doping emerging as particularly promising approach. In this study, we employed density functional theory (DFT) to investigate influence impurities on MoTe2. A total 22 dopants were selected from p-block periodic table, ranging boron bismuth. Specifically, examined adsorption oxygen molecules (O2) doped structures assess their impact layer activity. Our findings revealed that was energetically favorable for all investigated atoms, and it had effect surface Notably, groups 13-15, especially those atomic number, results increased strength, leading weakening molecular bonding O2 by up 5.72 eV, hinting at potential use catalyst. Additionally, identified certain molecules, primarily group 17, remarkably high energy charge transfer ratio. This leads excellent sensing characteristics, where response carrier concentration is 100-fold over pristine while sensor recovery estimated between 0.01 2 s. summary, our investigation demonstrated MoTe2 elements viable approach alteration activity, paving way various applications.

Язык: Английский

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) DOI Creative Commons
Maciej J. Szary

Acta Materialia, Год журнала: 2024, Номер 274, С. 120016 - 120016

Опубликована: Май 16, 2024

Resistive gas sensors are essential for monitoring air quality, ensuring industrial safety, and controlling automotive emissions. However, conventional materials used sensing layers often suffer from poor selectivity require elevated operating temperatures, limiting their effectiveness. This study introduces a novel approach to address these challenges by utilizing the intrinsic physicochemical properties of Mo-bearing transition-metal dichalcogenides (TMDs). The findings reveal that variable charge availability on TMD surfaces leads highly selective adsorption enhancements, resulting in significant differences responses various molecules, even at room temperature. results an exceptional relative sensitivity monolayers, which case combustion products exceeds what is feasible under same conditions such as ZnO TiO2 three orders magnitude. Such unprecedented variation distinct profiles. enables effective cross-referencing responses, offering benefits sensor arrays. Consequently, relatively simple setups, TMD-based devices have potential prevent false-positive signals enable determination composition mixtures, which, if utilized, could revolutionize field with innovative lab-on-a-chip solutions.

Язык: Английский

Процитировано

17
Substitutional doping of 2D transition metal dichalcogenides for device applications: Current status, challenges and prospects DOI
Rajeev Kumar, Amit Kumar Shringi,

H. L. Wood

и другие.

Materials Science and Engineering R Reports, Год журнала: 2025, Номер 163, С. 100946 - 100946

Опубликована: Фев. 5, 2025

Язык: Английский

Процитировано

2
A Mini-Review on Metal Oxide Semiconductor Gas Sensors for Carbon Monoxide Detection at Room Temperature DOI Creative Commons

Yaoyi He,

Mingzhi Jiao

Chemosensors, Год журнала: 2024, Номер 12(4), С. 55 - 55

Опубликована: Апрель 6, 2024

Carbon monoxide can cause severe harm to humans even at low concentrations. Metal Oxide Semiconductor (MOS) carbon gas sensors have excellent sensing performance regarding sensitivity, selectivity, response speed, and stability, making them very desirable candidates for monitoring. However, MOS generally work temperatures higher than room temperature, need a heating source that causes high power consumption. High consumption is great problem long-term portable monitoring devices point-of-care or wireless sensor nodes IoT application. Room-temperature function well without heater, rather suitable applications. This review first introduces the primary working mechanism of then gives detailed introduction analysis room-temperature materials, such as ZnO, SnO2, TiO2. Lastly, several mechanisms based on MOSs are discussed. The will be interesting engineers researchers sensors.

Язык: Английский

Процитировано

13
Transition metals vs. chalcogens: The impact on NOx adsorption on MoS2, MoSe2 and WS2 transition-metal dichalcogenides DOI Creative Commons
Piotr Radomski, Maciej J. Szary

Acta Materialia, Год журнала: 2024, Номер 272, С. 119949 - 119949

Опубликована: Апрель 23, 2024

The widely developed industry of today generates significant amounts harmful gases, which prompts the search for modern materials allowing their efficient and reliable detection. Transition-metal dichalcogenides (TMD) constitute well-known example such, with particularly high potential excellent sensing NO2. It is known, that adsorption this hazardous molecule varies on TMD composition, however importance transition metal chalcogen types were never previously contrasted. Moreover, other NOx compounds, namely NO N2, interact much less sheets, reason not yet well understood. This work utilizes density functional theory (DFT) approach to untangle these problems by examining processes NO2, NO, N2 monolayers WS2, MoS2, MoSe2. calculations allowed establish two important conclusions: (i) significantly more than metal, greater increase in NO2 MoSe2 as compared (ii) only molecules acting an acceptor respect sheet can benefit from enhancement coming composition latter. gained insight likely contribute informed design devices selective detection, lack a recognized problem among semiconductor sensors.

Язык: Английский

Процитировано

10
Ni-doped Co3O4 the influence of different exposed crystal facets and doping amount on the humidity sensitivity: Experiment and theory DOI
Songlin Li, Min Zhang,

Zhaohui Lei

и другие.

Applied Surface Science, Год журнала: 2024, Номер 653, С. 159298 - 159298

Опубликована: Янв. 7, 2024

Язык: Английский

Процитировано

6
Enhancing surface activity in MoTe2 monolayers through p-block doping: A comprehensive DFT investigation DOI Creative Commons
Dominik M. Florjan, Maciej J. Szary

Acta Materialia, Год журнала: 2024, Номер 272, С. 119951 - 119951

Опубликована: Апрель 24, 2024

Язык: Английский

Процитировано

6
Unveiling the Chemical Underpinnings behind the Enhanced Adsorption Interaction of NO2 on MoS2, MoSe2, and MoTe2 Transition Metal Dichalcogenides DOI Creative Commons
Maciej J. Szary, Piotr Radomski

The Journal of Physical Chemistry C, Год журнала: 2023, Номер 127(43), С. 21374 - 21386

Опубликована: Окт. 19, 2023

The demand for efficient gas sensors has fueled research into novel materials such as transition-metal dichalcogenide (TMD) compounds. TMDs MoS2, MoSe2, and MoTe2 have shown promise in detecting NO2. However, it remains uncertain which one is best suited this purpose. Consequently, study employs computational methods to investigate the adsorption of NO2 on monolayers MoTe2. results show that exhibits strongest interaction with highest charge transfer, suggesting its potential superior detection compared MoSe2 MoS2. sheets share same type outward-projecting orbitals, thus, they also principal mode projection. bonding within sheet influences accumulation it, turn impacts availability electrons surface. Subsequently, mechanism transfer between same, but more available an enhanced interaction. described likely affect other acceptor-type molecules (e.g., CO2, SO2, H2S, or BF3) be behind differences observed among group VI compounds MoS2 WS2).

Язык: Английский

Процитировано

14
B-Power: Investigating the Upper Limits of Enhanced Surface Reactivity in Doped MoTe2 DOI Creative Commons
Piotr Radomski, Dominik M. Florjan, Maciej J. Szary

и другие.

The Journal of Physical Chemistry C, Год журнала: 2025, Номер unknown

Опубликована: Апрель 7, 2025

Язык: Английский

Процитировано

0
Fe2O3-Functionalized MoS2 Nanostructure Sensor for High-Sensitivity and Low-Level SO2 Detection DOI
Rahul Gond,

Suraj Barala,

Prajjwal Shukla

и другие.

ACS Sensors, Год журнала: 2025, Номер unknown

Опубликована: Апрель 28, 2025

Real-time sulfur dioxide (SO2) monitoring is essential to mitigate its severe health and environmental impacts while ensuring compliance with industrial safety emission regulations. Two-dimensional MoS2 stands out as a promising material for developing low-temperature-operated gas sensors due exceptionally high surface-to-volume ratio ease of surface functionalization. However, the SO2 level faces challenges, including limited selectivity, sensitivity, detection range, operating temperatures (200-600 °C) or external light source requirements. To address these issues, we present highly sensitive sensor based on Fe2O3 nanoparticle-functionalized vertically aligned nanostructure material, which fabricated using scalable sputtering process. The Fe2O3-MoS2 exhibits broad range from 100 ppb ppm, theoretical limit around 22.8 ppb. When exposed 5 ppm SO2, achieves response 32.2%, recovery times approximately 104 141 s, respectively. demonstrated impressive sensitivity (4.9%/ppm) concentration in 0.1 coupled excellent reproducibility stability at 150 °C. This enhanced performance attributed catalytic effect modulation heterojunction barrier interface. study introduces scalable, reliable, stable sensor, paves way energy-efficient miniaturized sensors.

Язык: Английский

Процитировано

0
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) DOI Creative Commons
Maciej J. Szary

Опубликована: Фев. 22, 2024

Resistive gas sensors are essential for monitoring air quality, ensuring industrial safety, and controlling automotive emissions. However, conventional materials used sensing layers often suffer from poor selectivity require elevated operating temperatures, limiting their effectiveness. This study introduces a novel approach to address these challenges by utilizing the intrinsic physicochemical properties of Mo-bearing transition-metal dichalcogenides (TMDs). The findings reveal that variable charge availability on TMD surfaces leads highly selective adsorption enhancements, resulting in significant differences responses various molecules, even at room temperature. results an exceptional relative sensitivity monolayers, which case combustion products exceeds what is feasible under same conditions such as ZnO TiO2 three orders magnitude. Such unprecedented variation distinct profiles. enables effective cross-referencing responses, offering benefits sensor arrays. Consequently, relatively simple setups, TMD-based devices have potential prevent false-positive signals enable determination composition mixtures, which, if utilized, could revolutionize field with innovative lab-on-a-chip solutions.

Язык: Английский

Процитировано

2