A study on the influence of ligand variation on formamidinate complexes of yttrium: new precursors for atomic layer deposition of yttrium oxide

Beer, Sebastian; Boysen, Nils; Muriqi, Arbresha; Zanders, David; Berning, Thomas; Rogalla, Detlef; Bock, Claudia; Nolan, Michael; Devi, Anjana

doi:10.1039/d1dt01634b

Cited by 12 publications

(18 citation statements)

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“…The considerably lower onset temperature of evaporation and melting point for [Ir(COD)(DPfAMD)] might be explained by a lower degree of intermolecular van-der-Waals interactions due to the smaller endocyclic (-H) substituent and is moreover in line with our previous studies on yttrium formamidinate complexes. [37,38] The onset temperature of decomposition derived by DSC from our TG measurements is the lowest (176 °C) for [Ir(COD)(DPfAMD)], followed by [Ir(COD)(DPDMG)] (198 °C) and [Ir(COD)(DPAMD)] (211 °C). The differences seen in the decomposition points of the complexes is further supported by the high residual weights seen for all the complexes, while [Ir(COD)(DPfAMD)] features the highest residual weight of 58.0 % after subsequent heating to 550 °C.…”

Section: Thermal Evaluationmentioning

confidence: 91%

“…The starting material N,N'-Diisopropylformamidine was synthesized according to literature-known procedures. [37] NMR measurements were performed on a Bruker Avance III 300 and DPX-200 spectrometers in capped NMR tubes with degassed and dried deuterated solvents. EA measurements (CHN) were performed on a Vario Micro Cube from Elementar Analysensysteme GmbH, while the sample preparation was conducted inside the glovebox to minimize the exposure to the ambient.…”

Section: Methodsmentioning

confidence: 99%

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High-performance iridium thin films for water splitting by CVD using new Ir(I) precursors

Boysen

Wree

Zanders

et al. 2022

Preprint

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Thin films of iridium can be utilized in a wide range of applications and are particularly interesting for catalytic transformations. For the scalable deposition of functional Ir thin films, metal-organic chemical vapor deposition (MOCVD) is the method of choice, for which organometallic precursors that embody a high volatility and thermal stability need to be specifically tailored. Herein, we report the synthesis, analysis, and evaluation of new volatile Ir(I)-1,5-cyclooctadiene complexes bearing all-nitrogen coordinating guanidinate (DPDMG), amidinate (DPAMD) and formamidinate (DPfAMD) ligands. The amidinate-based Ir complex [Ir(COD)(DPAMD)] together with O2 was implemented in MOCVD experiments resulting in highly crystalline, dense, and conductive Ir films on a variety of substrate materials. The Ir deposits achieved an outstanding electrochemical performance with overpotentials in the range of 50 mV at –10 mA‧cm-2 for catalytic hydrogen evolution reaction (HER) in acidic solution. The ability to deposit Ir layers via MOCVD exhibiting promising functional properties is a significant step towards large scale applications.

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Section: Thermal Evaluationmentioning

confidence: 91%

Section: Methodsmentioning

confidence: 99%

High-performance iridium thin films for water splitting by CVD using new Ir(I) precursors

Boysen

Wree

Zanders

et al. 2022

Preprint

Self Cite

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“…Commercially available reagents were used without further purification. The starting material N,N ′-diisopropylformamidine was synthesized according to literature-known procedures . NMR measurements were performed on a Bruker Avance III 300 and DPX-200 spectrometers in capped NMR tubes with degassed and dried deuterated solvents.…”

Section: Methodsmentioning

confidence: 99%

High-Performance Iridium Thin Films for Water Splitting by CVD Using New Ir(I) Precursors

Boysen

Wree

Zanders

et al. 2022

ACS Appl. Mater. Interfaces

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Thin films of iridium can be utilized in a wide range of applications and are particularly interesting for catalytic transformations. For the scalable deposition of functional Ir thin films, metalorganic chemical vapor deposition (MOCVD) is the method of choice, for which organometallic precursors that embody a high volatility and thermal stability need to be specifically tailored. Herein, we report the synthesis, analysis, and evaluation of new volatile Ir(I)-1,5-cyclooctadiene complexes bearing all-nitrogen coordinating guanidinate (N,N′-diisopropyl-2-dimethylamido-guanidinate (DPDMG)), amidinate (N,N′-diisopropyl-amidinate (DPAMD)), and formamidinate (N,N′-diisopropyl-formamidinate (DPfAMD)) ligands. The amidinate-based Ir complex [Ir(COD)-(DPAMD)] together with O 2 was implemented in MOCVD experiments resulting in highly crystalline, dense, and conductive Ir films on a variety of substrate materials. The Ir deposits achieved outstanding electrochemical performance with overpotentials in the range of 50 mV at −10 mA•cm −2 for catalytic hydrogen evolution reaction (HER) in acidic solution. The ability to deposit Ir layers via MOCVD exhibiting promising functional properties is a significant step toward large-scale applications.

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“…Table 2 summarizes the theoretical-study-only ALD articles found in the Web of Science and covered in this review. It is worth mentioning that this review mostly focuses on the theoretical-study-only ALD articles and does not cover the combined experimental and theoretical ones, which are cited here [ 75 , 76 , 130 , 131 , 132 , 133 , 134 , 135 , 136 , 137 , 138 , 139 , 140 , 141 , 142 , 143 , 144 , 145 , 146 , 147 , 148 , 149 , 150 , 151 , 152 , 153 , 154 , 155 , 156 ]. Figure 5 displays the publications, summarized in Table 2 , that are covered in this study.…”

Section: Theoretical Studies On Aldmentioning

confidence: 99%

Recent Advances in Theoretical Development of Thermal Atomic Layer Deposition: A Review

et al. 2022

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Atomic layer deposition (ALD) is a vapor-phase deposition technique that has attracted increasing attention from both experimentalists and theoreticians in the last few decades. ALD is well-known to produce conformal, uniform, and pinhole-free thin films across the surface of substrates. Due to these advantages, ALD has found many engineering and biomedical applications. However, drawbacks of ALD should be considered. For example, the reaction mechanisms cannot be thoroughly understood through experiments. Moreover, ALD conditions such as materials, pulse and purge durations, and temperature should be optimized for every experiment. It is practically impossible to perform many experiments to find materials and deposition conditions that achieve a thin film with desired applications. Additionally, only existing materials can be tested experimentally, which are often expensive and hazardous, and their use should be minimized. To overcome ALD limitations, theoretical methods are beneficial and essential complements to experimental data. Recently, theoretical approaches have been reported to model, predict, and optimize different ALD aspects, such as materials, mechanisms, and deposition characteristics. Those methods can be validated using a different theoretical approach or a few knowledge-based experiments. This review focuses on recent computational advances in thermal ALD and discusses how theoretical methods can make experiments more efficient.

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A study on the influence of ligand variation on formamidinate complexes of yttrium: new precursors for atomic layer deposition of yttrium oxide

Abstract: The synthesis and characterization of a series of closely related Y(III) compounds comprising the formamidinate ligands (RNCHNR) (R = alkyl) is reported, with the scope of using them as prospective...

Cited by 12 publications

References 58 publications

High-performance iridium thin films for water splitting by CVD using new Ir(I) precursors

High-performance iridium thin films for water splitting by CVD using new Ir(I) precursors

High-Performance Iridium Thin Films for Water Splitting by CVD Using New Ir(I) Precursors

Recent Advances in Theoretical Development of Thermal Atomic Layer Deposition: A Review

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