Article
Materials Science, Multidisciplinary
A. N. Mihalyuk, Y. E. Vekovshinin, L. V. Bondarenko, A. Y. Tupchaya, T. V. Utas, D. V. Gruznev, S. V. Eremeev, A. V. Zotov, A. A. Saranin
Summary: Co-adsorption of Pb and Bi onto Si(111) and Ge(111) surfaces leads to the formation of atomic-layer PbBi compounds with similar structures. These compounds exhibit different electronic properties, with the PbBi compound on Ge(111) showing a distinct behavior compared to that on Si(111). These findings are expected to be significant for the development of new electronic devices in the ultimate two-dimensional limit.
FRONTIERS IN MATERIALS
(2022)
Article
Chemistry, Physical
Jun Huang
Summary: The density-potential functional theory (DPFT) of electrochemical double layer (EDL) is improved by using (generalized) gradient approximations for kinetic, exchange, and correlation functionals of metal electrons. A new stable and fast-converging numerical scheme is proposed to solve the DPFT model. The model is calibrated with existing differential double layer capacitance (Cdl) data of the EDL at Ag(111)-KPF6 aqueous interface, revealing the essential role of metal electronic effects in explaining the symmetry of the camel-shaped Cdl curves.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2023)
Article
Chemistry, Multidisciplinary
Inshad Jum'h, Husam H. Abu-Safe, Morgan E. Ware, I. A. Qattan, Ahmad Telfah, Carlos J. Tavares
Summary: This study investigates the surface atomic arrangement and physical properties of aluminum ultrathin layers deposited on c-Si(111)-7 x 7 and hydrogen-terminated c-Si(111)-1 x 1 surfaces using molecular beam epitaxy. X-ray photoelectron spectroscopy was used to determine the surface species, and 3D atomic force microscopy was used to investigate clustering formations in the film structure. Reflection high-energy electron diffraction experiments confirmed the surface crystalline structure of the c-Si(111) during the deposition of the aluminum layers. The surface electrical conductivity was tested against atmospheric oxidation, showing differences in conductivity based on the formation of various alloys on the surface.
Article
Physics, Condensed Matter
Linda A. Zotti, David D. O'Regan
Summary: The work of separation at metal-metal interfaces was studied using first-principles density-functional theory calculations. The results showed that the work of separation is highest for one-atom-thick layers and oscillates with thickness but tends to a limiting value for a large number of layers. Interestingly, two-atom layers have the lowest work of separation, which is correlated with the quantity of charge transferred and the spatial distance between the metals.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Chemistry, Multidisciplinary
Arun Kumar, Raimondo Cecchini, Lorenzo Locatelli, Claudia Wiemer, Christian Martella, Lucia Nasi, Laura Lazzarini, Roberto Mantovan, Massimo Longo
Summary: This study achieved the optimized large-area growth of Bi2Te3 epitaxial layers on unbuffered i-Si(111) substrates via MOVPE and identified the key factors for maximizing layer quality. The grown Bi2Te3 thin layers exhibit high crystal quality, stoichiometry, uniformity, and topological insulator properties, showing potential for technology transfer to innovative devices.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Materials Science, Multidisciplinary
Andrea Droghetti, Ilya Tokatly
Summary: We present first-principles calculations based on density functional theory to estimate the magnitude of current-induced spin polarization (CISP) at the surfaces of 5d transition metals with fcc and bcc crystal structures. Our predictions suggest that W and Ta exhibit the largest surface CISP, while Pt and Au surfaces show considerably weaker CISP. We further discuss the emergence of CISP over a few atomic layers and its differences from the spin accumulation characteristic of the spin Hall effect, which is related to the spin diffusion length of the materials.
Article
Chemistry, Physical
M. Baljozovic, B. Arnoldi, S. Grass, J. Lacour, M. Aeschlimann, B. Stadtmueller, K. -H. Ernst
Summary: It has been shown that electrons interact differently with chiral molecules depending on their polarization. Previous photoemission experiments on enantiomeric pure monolayers of heptahelicene reported opposite asymmetries in spin polarization, attributed to the chirality-induced spin selectivity effect. However, these experiments lack the necessary angular and energy resolution to understand the mechanism of this phenomenon. To fill in the gaps, a detailed spin- and angle-resolved photoemission spectroscopy study of heptahelicene layers on a Cu(111) substrate was conducted, but no chirality-induced spin asymmetry in photoemission was observed. Possible reasons for the absence of spin-dependent electron transmission signatures through the chiral molecular layer are briefly discussed.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Hongye Yuan, Weichu Fu, Nadia Soulmi, Christian Serre, Nathalie Steunou, Michel Rosso, Catherine Henry de Villeneuve
Summary: This study reports the direct growth of Fe3+/benzene di-carboxylate MOFs onto functionalized silicon surfaces and reveals the co-nucleation and growth of different crystalline phases. Three structural phases are identified, and the formation of MIL-101 nano-crystallites or thin layers/islands is demonstrated.
CHEMISTRY-AN ASIAN JOURNAL
(2022)
Article
Chemistry, Physical
Jun Ma, Yujie Yuan, Ping Sun
Summary: This study successfully synthesized large-scale MoS2 monolayers using a novel method and applied them at the graphene/n-Si interface, significantly enhancing the photovoltaic conversion efficiency of graphene-based solar cells, providing a promising new approach for the application of next-generation photovoltaic devices.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Shuai Li, Shujuan Sun, Wei Suo, Guihua Liu, Guirong Wang, Yanji Wang, Jingde Li, Zisheng Zhang
Summary: Density functional theory was used to study the reduction mechanism of CO2 on Cu, Sn@Cu, and Sn surfaces in this research. The results suggest that doping Sn onto the Cu surface may be a potential strategy for improving the efficiency of CO2 electrocatalyst.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Physical
Yu Guo, Yanyan Zhao, Wei Pei, Si Zhou, Jijun Zhao
Summary: For the first time, we demonstrate that the Si(111)-(7 x 7) surface is an ideal substrate for producing subnanometer identical metal clusters for catalysis. The Pd-6 cluster on the Si(111)-(7 x 7) surface selectively converts CO2 to high-value C-2-C-4 hydrocarbons and alcohols. This offers a facile strategy for obtaining and utilizing identical metal clusters for clean energy production.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Analytical
Rayhane Zribi, Antonino Foti, Maria Grazia Donato, Pietro Giuseppe Gucciardi, Giovanni Neri
Summary: This study presents the preparation and characterization of a hybrid composite based on carbon cloth matrix functionalized with 2D MoS2 flakes and MoO3 for developing an electrochemical sensor to detect riboflavin. The hybrid composite displayed promising electrochemical characteristics, with a high sensitivity and low limit of detection for riboflavin.
Article
Chemistry, Multidisciplinary
Ines Muguet, Ali Maziz, Fabrice Mathieu, Laurent Mazenq, Guilhem Larrieu
Summary: This study introduces a new method to enhance the performance of microelectrode arrays (MEAs) for electrophysiological studies of neuronal networks by integrating 3D nanowires (NWs) with MEAs. The integration increases the surface-to-volume ratio, allowing for subcellular interactions and high-resolution neuronal signal recording. Conductive polymer coatings, specifically poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS), are investigated to improve charge transfer capacity and biocompatibility. The results show that PEDOT-coated electrodes exhibit thickness-dependent improvements in stimulation and recording performances, offering new possibilities for studying neuronal activity at the sub-cellular level.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Cleber S. Lourenco, Rafael A. Raimundo, Ricardo F. Alves, Thayse R. Silva, Francisco J. A. Loureiro, Maria J. S. Lima, Bruno A. S. G. Lima, Daniel A. Macedo, Marco A. Morales, Marcio M. Soares, Uilame U. Gomes
Summary: In this study, refractory metals Tungsten (W) and Molybdenum (Mo) were successfully synthesized into particles with a Body-Centered Cubic (BCC) structure. The particle size and oxygen vacancies were found to significantly affect the catalytic activity of refractory metals. Compared to Mo, W particles exhibited smaller size, larger O2/O1 ratio, and superior electrocatalytic performance with low overpotential, Tafel slope, CDL, ECSA, specific activity, and mass activity. This two-step synthesis method is highly effective in producing catalysts with excellent electrochemical responses for energy applications.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2023)
Article
Chemistry, Physical
Irum Firdous, Muhammad Fahim, Walid A. Daoud
Summary: Enhancing negative charge retention sites and preventing alternate charge transfer are crucial for improving the performance of triboelectric nanogenerators. Doping PVDF with phytate ion cluster as the tribopositive layer and optimizing the tribonegative layer with deeper trap states and more localization of negative charge (i.e. PDMS) contribute to trapping charges effectively and increasing current density.
Article
Chemistry, Multidisciplinary
Meiqi Zhang, Fabien Grasset, Yuji Masubuchi, Toshihiro Shimada, Thi Kim Ngan Nguyen, Noee Dumait, Adele Renaud, Stephane Cordier, David Berthebaud, Jean-Francois Halet, Tetsuo Uchikoshi
Summary: The Mo cluster-MoS2 composite was synthesized through a one-step sulfurization process using H2/H2S gas flow. The decomposed Mo-6 cluster iodides acted as a template and precursor, forming complex Mo cluster compounds and eventually producing MoS2. After sulfurization, the response of the composite to NH3 gas increased three times while showing conversion from p-type to n-type semiconductor, enhancing its potential for device applications.
Article
Chemistry, Multidisciplinary
Maria Amela-Cortes, Noee Dumait, Franck Artzner, Stephane Cordier, Yann Molard
Summary: A luminescent nanocomposite based on red-NIR phosphorescent molybdenum nanoclusters embedded in an eco-friendly cellulose biopolymer matrix was developed. Homogeneity was maintained up to 20 wt% of cluster complex doping, and annealing hybrids led to a significant increase in their emission efficiency.
Article
Chemistry, Multidisciplinary
Maria Amela-Cortes, Maxence Wilmet, Samuel Le Person, Soumaya Khlifi, Clement Lebastard, Yann Molard, Stephane Cordier
Summary: New nanocomposite materials with UV-NIR blocking properties and hues ranging from green to brown were prepared by integrating inorganic tantalum octahedral cluster building blocks prepared via solid-state chemistry in a PMMA matrix. The oxidation state of the Ta-6 cluster inorganic building blocks can be controlled to tune the optical and blocking properties of the composite. The synthesis involves the solid-state chemical reaction of ternary halide K-4[{Ta6Br12i}Br-6(a)] and the replacement of potassium cations with functional organic cations (Kat(+)) bearing a methacrylate function.
Article
Energy & Fuels
Tatiana Lappi, Stephane Cordier, Yakov Gayfulin, Soraya Ababou-Girard, Fabien Grasset, Tetsuo Uchikoshi, Nikolay G. Naumov, Adele Renaud
Summary: This study investigates the effect of metal/ligand on the photoinduced conductivity properties of two types of cluster core building blocks, {Re6S8i} and {Re6Se8i}, using a comprehensive range of characterization techniques. The composition of {Re(6)Q(8)(i)}-based films (Q = S or Se) significantly affects their optical and electronic properties. By increasing the interactions between the cluster building blocks through heating, the electronic properties can be enhanced. The design of mixed {Re(6)Q(8)(i)}-based photoelectrodes combining n-{Re6S8i} and p-{Re6Se8i} cluster core-based building blocks allows for the optimization of photocurrents, making them attractive for solar cell applications.
Article
Chemistry, Inorganic & Nuclear
Tatiana A. . Pomelova, Charlene Delacotte, Natalia Kuratieva, Pierric Lemoine, Stephane Cordier, SangJun Park, Thierry Guizouarn, Vincent Pelletier, Regis Gautier, Nikolay G. Naumov
Summary: This work presents the synthesis, crystal and electronic structures, and magnetic properties of new quaternary sulfides Cs2Ln3CuS8 (Ln = La-Nd, Sm-Tb). These sulfides are prepared using a reactive flux method and exhibit a new type of structure (C2/m space group) with a layer-like crystal structure. The Cs2Gd3CuS8 compound shows significant magnetic refrigerating properties with a mass entropy change (-Delta SM) of 19.5 J kg-1 K-1 at 3.5 K and Delta H = 5 T.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Tatiana I. Lappi, Yakov M. Gaifulin, Vadim V. Yanshole, Stephane Cordier, Nikolay G. Naumov
Summary: In this study, a high-temperature reaction between ReS2, MoS2, and KCN was investigated, resulting in the formation of a cluster-based K6[Re6-xMoxS8(CN)5] solid solution. The crystal structure is based on chains of [Re6-xMoxS8(CN)6] cluster units. The composition of the product can be varied within the range of x = 2.75-3.63 depending on the sintering temperature of starting sulfides and the reaction temperature with KCN.
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Gilles Daigre, Maria S. S. Tarasenko, Alexandra Yu. Ledneva, Nikolai G. G. Naumov, Nathalie Audebrand, Stephane Cordier
Summary: In this study, two inorganic polymeric cluster compounds, Cs[Mn(salen)](3)[{Mo6Br6Se2}(CN)(6)] (1) and (H3O)(TBA)[Mn(salen)](2)[{Mo6Br6Se2}(CN)(6)] (2), were synthesized and their structures were characterized. The compounds were built-up using [{Mo6Br6Se2}(CN)(6)](4-) building blocks and Mn(salen)(+) complexes. The counter cations (Cs+ or TBA(+)) played a crucial role in controlling the interactions between the building blocks and the Mn(salen)(+) groups. Compound 1 was obtained by diffusion of K2Cs2[{Mo6Br6Se2}(CN)(6)] cluster compound into a solution of Mn(salen)ClO4, while compound 2 was obtained by addition of tetrabutylammonium bromide into the solution of Mn(salen)ClO4. The structures of 1 and 2 were discussed and compared with relevant examples from literature.
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
(2023)
Article
Nanoscience & Nanotechnology
Irene Carrasco, Philipp Ehni, Max Ebert, Noeie Dumait, Gregory Taupier, Maria Amela-Cortes, Claire Roiland, Steiphane Cordier, Julius A. Knoeller, Emmanuel Jacques, Sabine Laschat, Yann Molard
Summary: In this work, it is shown that red near-infrared emissive metal cluster compounds can readily form 1:1 complexes with discotic liquid crystals containing a crown ether, enhancing charge carrier mobility by 5 orders of magnitude compared to organic ligands.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Biochemistry & Molecular Biology
Tatiana I. Lappi, Yakov M. Gayfulin, Adele Renaud, Carmelo Prestipino, Pierric Lemoine, Vadim V. Yanshole, Viktoria K. Muravieva, Stephane Cordier, Nikolai G. Naumov
Summary: A series of new cluster compounds containing {Re4Mo2S8} and {Re3Mo3S8} cores have been synthesized and studied. The clusters with different Re/Mo ratios were obtained as separate compounds, allowing for characterization of their spectroscopic and electrochemical properties. The geometry of the clusters was determined using X-ray diffraction analysis, XAS, and quantum chemical DFT calculations. The results showed that the new clusters exhibit similar properties to clusters based on {Re4Mo2Se8} and {Re3Mo3Se8} cores, including the number and position of electrochemical transitions, electronic structure, and changes in geometry upon charge variation.
Article
Materials Science, Multidisciplinary
Alexis Verger, Gilles Dollo, Nolwenn Brandhonneur, Sophie Martinais, Stephane Cordier, Kamil Lang, Maria Amela-Cortes, Kaplan Kirakci
Summary: Efficient intracellular uptake of the photosensitizer is necessary for photodynamic applications. In this study, PEGylated poly(lactic-co-glycolic acid) nanoparticles loaded with an octahedral molybdenum cluster complex were prepared. The encapsulated complexes maintained their photocytotoxic activity and exhibited high colloidal stability, making them potential agents for photodynamic therapy.
MATERIALS ADVANCES
(2023)
Article
Chemistry, Multidisciplinary
Anam Fatima, Yevheniia Smortsova, Clement Falaise, Nathalie Leclerc, Mohamed Haouas, Emmanuel Cadot, Stephane Cordier, Yann Molard, Thomas Pino, Celine Dablemont, Rachel Meallet, Karine Steenkeste, Minh-Huong Ha-Thi
Summary: This paper reports the evidence of photoinduced intermolecular electron transfer from the excited state of the [Mo6I8Cl6](2-) electron-rich cluster to polyoxometalates (POMs). The efficiency of electron transfer is shown to be affected by the global charge density of POMs. This work paves the way for the rational design of photocatalytic systems using cluster-based complexes as robust noble-metal-free photosensitizers.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Anam Fatima, Yevheniia Smortsova, Clement Falaise, Nathalie Leclerc, Mohamed Haouas, Emmanuel Cadot, Stephane Cordier, Yann Molard, Thomas Pino, Celine Dablemont, Rachel Meallet, Karine Steenkeste, Minh-Huong Ha-Thi
Summary: Evidence is reported for photoinduced intermolecular electron transfer from the excited state of the [Mo6I8Cl6](2)- electron-rich cluster to polyoxometalates (POMs). The efficiency of electron transfer is demonstrated to be affected by the global charge density of POMs. This work paves the way for the rational design of photocatalytic systems using cluster-based complexes as robust noble-metal-free photosensitizers.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Philipp Ehni, Soeren M. Bauch, Patrick M. Becker, Wolfgang Frey, Anna Zens, Johannes Kaestner, Yann Molard, Sabine Laschat
Summary: In this study, a series of merocyanine dyes with good linear optical and self-assembly properties were synthesized and their structures were modified. The effects of the donor unit and chromophore size on the dye properties were revealed through experimental and computational methods. Additionally, the mesomorphic properties of liquid crystalline derivatives were investigated, providing insights into their phase behavior.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
