ZnO Metal Oxide Semiconductor in Surface Acoustic Wave Sensors: A Review

Constantinoiu, Izabela; Viespe, Cristian

doi:10.3390/s20185118

Cited by 48 publications

(30 citation statements)

References 168 publications

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“…As a case study, we focus herein our attention on Zn(hfa) 2 TMEDA as a molecular precursor to Zn(II) oxide nanomaterials, in view of the paramount importance of ZnO for a huge variety of technological end-uses encompassing piezoelectric nanogenerators, sensors, lasers and optoelectronic devices, photocatalysts, solar cells, and supercapacitors [ 36 , 37 , 38 , 39 , 40 , 41 ].…”

Section: Introductionmentioning

confidence: 99%

The Early Steps of Molecule-to-Material Conversion in Chemical Vapor Deposition (CVD): A Case Study

et al. 2021

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Transition metal complexes with β-diketonate and diamine ligands are valuable precursors for chemical vapor deposition (CVD) of metal oxide nanomaterials, but the metal-ligand bond dissociation mechanism on the growth surface is not yet clarified in detail. We address this question by density functional theory (DFT) and ab initio molecular dynamics (AIMD) in combination with the Blue Moon (BM) statistical sampling approach. AIMD simulations of the Zn β-diketonate-diamine complex Zn(hfa)2TMEDA (hfa = 1,1,1,5,5,5-hexafluoro-2,4-pentanedionate; TMEDA = N,N,N′,N′-tetramethylethylenediamine), an amenable precursor for the CVD of ZnO nanosystems, show that rolling diffusion of this precursor at 500 K on a hydroxylated silica slab leads to an octahedral-to-square pyramidal rearrangement of its molecular geometry. The free energy profile of the octahedral-to-square pyramidal conversion indicates that the process barrier (5.8 kcal/mol) is of the order of magnitude of the thermal energy at the operating temperature. The formation of hydrogen bonds with surface hydroxyl groups plays a key role in aiding the dissociation of a Zn-O bond. In the square-pyramidal complex, the Zn center has a free coordination position, which might promote the interaction with incoming reagents on the deposition surface. These results provide a valuable atomistic insight on the molecule-to-material conversion process which, in perspective, might help to tailor by design the first nucleation stages of the target ZnO-based nanostructures.

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Section: Introductionmentioning

confidence: 99%

The Early Steps of Molecule-to-Material Conversion in Chemical Vapor Deposition (CVD): A Case Study

et al. 2021

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“…Recently, there has been great interest in the creation of various sensors. One of the promising applications of zinc oxide is a creation of gas sensors using arrays of nanocrystals [ 14 , 15 , 16 , 17 , 18 , 19 ], as well as single ZnO nanorods [ 20 , 21 ].…”

Section: Introductionmentioning

confidence: 99%

Ultraviolet Radiation Sensor Based on ZnO Nanorods/La3Ga5SiO14 Microbalance

Рощупкин

Редькин

Емелин

et al. 2021

Sensors

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The possibility of creating resonant ultraviolet (UV) sensors based on the structure of ZnO nanorods/La3Ga5SiO14 microbalance (LCM) has been investigated. The principle of sensor operation is based on the desorption of oxygen from the surface of ZnO nanorods upon irradiation with UV light and an increase in the concentration of charge carriers that leads to an increase in the capacitance of the structure of ZnO nanorods/LCM. It has been shown that UV radiation intensity affects the resonance oscillation frequency of the LCM sensor. After the end of irradiation, the reverse process of oxygen adsorption on the surface of ZnO nanorods occurs, and the resonance frequency of the sensor oscillations returns to the initial value.

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“…As a case study, we focus herein our attention on Zn(hfa)2TMEDA as a molecular precursor to Zn(II) oxide nanomaterials, in view of the paramount importance of ZnO, a non-toxic and low-cost semiconductor featuring a remarkable stability, for a huge variety of technological end-uses encompassing piezoelectric nanogenerators, sensors, lasers and optoelectronic devices, photocatalysts, solar cells, and supercapacitors [36][37][38][39][40][41].…”

Section: Introductionmentioning

confidence: 99%

The Early Steps of Molecule-to-Material Conversion in Chemical Vapor Deposition (CVD): A Case Study

Barreca¹,

Fois²,

Gasparotto³

et al. 2021

Preprint

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Transition metal complexes with β-diketonate and diamine ligands are valuable precursors for the chemical vapor deposition (CVD) of metal oxide nanomaterials, but the metal-ligand bond dissociation mechanism on the growth surface is not clarified yet. We address this question by Density Functional Theory (DFT) and ab initio molecular dynamics (AIMD) in combination with the Bluemoon (BM) statistical sampling approach. AIMD simulations of the Zn β-diketonate-diamine complex Zn(hfa)2TMEDA (hfa = 1,1,1,5,5,5-hexafluoro-2,4-pentanedionate; TMEDA = N,N,N’,N’-tetramethylethylenediamine) show that rolling diffusion of this precursor at 500 K on a hydroxylated silica slab leads to an octahedral-to-square pyramidal rearrangement of its molecular geometry. The free energy profile of the octahedral-to-square pyramidal conversion indicates that the process barrier (5.8 kcal/mol) is of the order of magnitude of the thermal energy at the operating temperature. The formation of hydrogen bonds with surface hydroxyls plays a key role in aiding the dissociation of a Zn-O bond. In the square-pyramidal complex, the Zn center has a free coordination position, which might promote the interaction with incoming reagents on the deposition surface. These results provide a valuable atomistic insight on the molecule-to-material conversion process which, in perspective, might help to tailor by design the first nucleation stages of the target ZnO-based nanostructures.

show abstract

ZnO Metal Oxide Semiconductor in Surface Acoustic Wave Sensors: A Review

Cited by 48 publications

References 168 publications

The Early Steps of Molecule-to-Material Conversion in Chemical Vapor Deposition (CVD): A Case Study

The Early Steps of Molecule-to-Material Conversion in Chemical Vapor Deposition (CVD): A Case Study

Ultraviolet Radiation Sensor Based on ZnO Nanorods/La3Ga5SiO14 Microbalance

The Early Steps of Molecule-to-Material Conversion in Chemical Vapor Deposition (CVD): A Case Study

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