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[Display omitted] • Atomic layer deposition (ALD) used to fabricate metal–organic framework (MOF) materials is reviewed. • Seven combined methods using ALD technology and MOF synthesis are discussed. • Applications of MOF materials related to ALD technology are summarized. • New directions and perspectives for ALD-related MOF materials are provided. Atomic layer deposition (ALD) technology is an effective nanofabrication method used for various nanomaterials and thin films at the atomic level. Metal-organic framework (MOF) materials have a high porosity and specific surface area, and have been widely used in the fields of adsorption, separation, catalysis, sensors and devices. When ALD meets MOFs, some new combination methods can appear. In this review, the advances in MOFs synthesis related to ALD are summarized. These new synthetic methods of MOFs can be divided into seven categories: MOF gas-phase growth via ALD/MLD, MOF solvothermal growth on ALD metal oxide, MOF solvothermal growth and assembled on ALD metal oxide, MOF liquid-phase epitaxy growth on ALD metal oxide, MOF conversion from ALD metal oxide, MOF conversion via hydroxyl double salt from ALD metal oxide and MOF modification via ALD. Meanwhile, the upscaling applications of these ALD-related MOFs, such as in adsorption, separation, catalysis and energy, have further been reviewed. The perspectives of ALD based MOFs have also been provided. Such efforts are expected to provide guidance for developing new synthetic methods of MOFs related to ALD technology and thereby lead to new applications of ALD-related MOFs. [ABSTRACT FROM AUTHOR]

[Display omitted] • Reactions of bis(cyclopentadienyl) ruthenium (ruthenocene, RuCp 2) and cyclopentadienyl pyrrolyl ruthenium (RuCpPy) on the hydroxylated surface were explored by density functional theory calculations. • Ru precursors, such as bis(pyrrolyl) ruthenium (RuPy 2), were designed for H 2 O-based atomic layer deposition of RuO 2 · x H 2 O. • New cascade mechanism of H 2 O-based atomic layer deposition of RuO 2 · x H 2 O was proposed. As the unique nanofabrication technique, atomic layer deposition (ALD) can be used to deposit high-quality, uniform, and conformal nanoparticle coatings. Ru and its oxides (RuO x) are important materials in the fields of microelectronics and catalysis. In this work, the reaction of Ru precursors with different ligands on the hydroxylated surfaces were explored. The elimination of the pyrrolyl (Py) ligand is easier than that of the cyclopentadienyl (Py) ligand on the hydroxylated surface. The reaction involved in RuO 2 · x H 2 O ALD using RuPy 2 and H 2 O as precursors was further investigated. During the RuPy 2 reaction, the pyrrolyl ligand is eliminated by the substitution reaction with a surface hydroxyl group. However, the desorption of the pyrrole molecule is difficult due to the strong adsorption between the pyrrole molecule and Ru surface. During the H 2 O reaction, the H 2 O molecules further help the elimination of pyrrolyl ligands from the surface and the dissociative desorption of pyrrole molecules This unique reaction mechanism involved in the ALD of RuO 2 with the assistance of H 2 O can be termed new cascade mechanism. These findings provide theoretical guidance for precursor design and ALD growth of metal oxides. [ABSTRACT FROM AUTHOR]

[Display omitted] • Aluminum precursors bearing alkyl, hydrogen, halide, alkoxy and amino ligands were designed and investigated for Al 2 S 3 atomic layer deposition (ALD). • Amino ligands of aluminum precursors have the self-catalytic role and accelerate the reaction of Al 2 S 3 ALD. • Unlike the concerted elimination of the first amino ligand of aluminum precursors, the elimination of the second amino ligands on the surface is a stepwise process. As a unique nanotechnology, atomic layer deposition (ALD) has been extensively used for the preparation of various nanomaterials. An effective precursor is a prerequisite to ALD success. Herein, we designed and introduced alkyl, hydrogen, halide, alkoxy and amino ligands to aluminum precursors and investigated reaction mechanisms of Al 2 S 3 ALD through density functional calculations. The results show that aluminum precursors with alkyl, hydrogen and halide ligands are kinetically disadvantageous and with alkoxy groups are thermodynamically unfavorable and Al precursors bearing amino groups are thermodynamically and kinetically favorable for Al 2 S 3 ALD. The activity of trimethylaluminum (TMA) on the sulfydrylated surface is lower than that on the hydroxylated surface. The reaction barriers of the aluminum precursors bearing amino ligands on the sulfydrylated surface are obviously lower than that of TMA. Similarly, the barrier of the H 2 S reaction on the aminated surface is much lower than that on the methylated surface. All of the amino groups have a self-catalytic role and accelerate the reaction of Al 2 S 3 ALD. These insights into aluminum precursors bearing amino ligands for Al 2 S 3 ALD can provide theoretical guidance for the discovery of new precursors and the ALD preparation of other aluminum and sulfur compounds. [ABSTRACT FROM AUTHOR]