Programmable robotized‘transfer-and-jet’printing for large,3D curved electronics on complex surfaces

Large,3D curved electronics are a trend of the microelectronic industry due to their unique ability to conformally coexist with complex surfaces while retaining the electronic functions of 2D planar integrated circuit technologies.However,these curved electronics present great challenges to the fabrication processes.Here,we propose a reconfigurable,mask-free,conformal fabrication strategy with a robot-like system,called robotized‘transfer-and-jet’printing,to assemble diverse electronic devices on complex surfaces.This novel method is a ground-breaking advance with the unique capability to integrate rigid chips,flexible electronics,and conformal circuits on complex surfaces.Critically,each process,including transfer printing,inkjet printing,and plasma treating,are mask-free,digitalized,and programmable.The robotization techniques,including measurement,surface reconstruction and localization,and path programming,break through the fundamental constraints of 2D planar microfabrication in the context of geometric shape and size.The transfer printing begins with the laser lift-off of rigid chips or flexible electronics from donor substrates,which are then transferred onto a curved surface via a dexterous robotic palm.Then the robotic electrohydrodynamic printing directly writes submicrometer structures on the curved surface.Their permutation and combination allow versatile conformal microfabrication.Finally,robotized hybrid printing is utilized to successfully fabricate a conformal heater and antenna on a spherical surface and a flexible smart sensing skin on a winged model,where the curved circuit,flexible capacitive and piezoelectric sensor arrays,and rigid digital–analog conversion chips are assembled.Robotized hybrid printing is an innovative printing technology,enabling additive,noncontact and digital microfabrication for 3D curved electronics.

Probing electronic structures of transition metal complexes using electron paramagnetic resonance spectroscopy

Electron paramagnetic resonance(EPR)or electron spin resonance(ESR)has been widely employed to characterize transition metal complexes.However,because of the high degree of complexity of transition metal EPR spectra,how to extract the underlying electronicstructure information inevitably poses a major challenge to beginners,in particular for systems with S>1/2.In fact,the physical principles of transition metal EPR have long been well-established and since 1970s a series of dedicated voluminous monographs have been published already.Not surprisingly,they are not appropriate stating points for novices to grasp a panorama of the profound theory prior to scrutinizing in-depth references.The present review aims to fill this gap to provide a perspective of transition metal EPR and unveil some peculiar subtleties thereof on the basis of our recent work.

A Hierarchical Modeling and Fault Diagnosis Method for Complex Electronic Devices

Due to the shortcomings of the diagnosis systems for complex electronic devices such as failure models hard to build and low fault isolation resolution, a new hierarchical modeling and diagnosis method is proposed based on multisignal model and support vector machine （SVM）. Multisignal model is used to describe the failure propagation relationship in electronic device system, and the most probable failure printed circuit boards （PCBs） can be found by Bayes inference. The exact failure modes in the PCBs can be identified by SVM. The results show the proposed modeling and diagnosis method is effective and suitable for diagnosis for complex electronic devices.

Control of the Electronic Structure of Manganese Nitrido Complexes by Para Ring Substituents：a Theoretical Study

The relationship between the electronic structures of manganese nitrido complexes and the substituted ligands is investigated by using density functional theory.By designing a series of manganese nitrido complexes [Mn（SalenR）N]＋ with different para ring substituents（R = H,CH_3,NH_2,OCH_3,NMeF,etc） of the ancillary ligand,the properties of manganese-nitrogen bonds were compared for two kinds of electronic structures,of which the radical resides on metal center or the coordinated ring ligand.Our calculation shows that for R = H,CH_3 and NH_2,the [Mn（SalenR）N]＋ complexes have a high-valent Mn（VI） center,and for R = OCH_3 and NMeF,the complexes represent a configuration where the radical delocalizes on the ligand.It is found that the relative energies of these two species depend on electronic properties of the substituent,originating from the intrinsic property of HOMO-LUMO gaps.

Molecular Design and Electronic Structure of Polynuclear Rare Earth Complexes and Clusters

Studies on the electronic structure,molecular design,syntheses of some novel series of tetranuclear rare earth complexes in our laboratory have been reviewed.Spin-unrestricted localized INDO method was used to calculate the electronic structure and the chemical bonding in the typical rare earth cluster Sc[Sc_6Cl_(12)Co]was discussed.

Electronic Structure and Chemical Bonding of a Tetranuclear Neodymium Complex Nd_4O(OR)_4(NR'_2)_6

The nonrelativistic DV-X_α-SCC method was used to study the electronic structure and chemi- cal bonding of tetranuclear neodymium complex Nd_4O(OR)_4(NR′_2)_6,with emphasis on the bonding charac- ter of the central μ_4-O atom and the four Nd atoms.The results of calculation show that the μ_4-O atom uses its sp^3 valence orbitals to contribute four O-Nd bonding MOs with character of multicenter bond apparent- ly.The Mulliken population analysis shows that the overlap population between Nd atoms is almost equal to zero,therefore there is no direct metal-metal bond between Nd atoms.The coordination number of Nd in the complex is discussed briefly.

Electronic structure & yield strength prediction for dislocation-Mo complex in the γ phase of nickel-based superalloys

Molybenum＇s effects when added in the γ phase of nickel-based superalloys were studied using the lattice Green＇s function multiscale method. The electronic structure of the dislocation-Mo complex was analyzed and hybridization was found to contribute to the strengthening. Moreover, by combining the interaction energies calculated from two scales, the yield stress was theoretically predicted at 0 K and finite temperature.

Ab Initio Molecular Orbital Calculation on Dinuclear Gold(Ⅰ) Complexes──Metal-Metal Interaction and Electronic Structure of Binuclear Gold(Ⅰ) Complexes with Bridging Bidentate Ligands

The electronic structure and electronic absorption spectra of binuclear Au(Ⅰ) complexes with bidentate phophines and a bidentate ylid ligand have been studied using quasirelativistic pseudopotential ab initio calculations at the HF and MP2 levels by the LANL2DZ basis sets. The electronic properties of the spectral transition and Au(Ⅰ)—Au(Ⅰ) interaction were also discussed.

The Electronic Structures and Chemical Bonding of Some Dinuclear and Trinuclear Low-valence Molybdenum Complexes Containing Thiolate Bridges

The electronic structures of several dinuclears and trinuclears of molybdenum containing thiolates complexes have been calculated by quantum chemistry SCC-DV-Xa method, and the reactivity of complexes has been analyzed in terms of the molecular orbital energy level diagrams, orbital characters and charge populations.

Study on Electronic Structure of Rare Earth Complex with Dioxygen

The electronic structure and chemical bonding of[Ce(CO_3)_3O_2]_2^(8-) have been studied by INDO (Intermediate Neglect of Differentiated Overlap)method in this paper.The results obtained show that the HOMO of[Ce(CO_3)_3O_2]_2^(8-) is mainly composed of the anti-bonding π orbitals of the pcroxide ion(O_2^(2-)) and the LUMO is mainly composed of the 4f orbitals of the Ce(Ⅳ).The peroxide ion coordinates to ceric ion by means of σ and π dative bonds.After coordination the O-O bond of the peroxide ions is strengthened.By comparison with cerous complexes,the contribution of the 4f orbitals to bonding increases in the ceric com- plex.

SYNTHESIS AND ELECTRONIC SPECTRA OF RUTNENIUM(Ⅱ)-1,1'-BIISOQUINOLINE COMPLEXES

l,l'-biisoquinoline can coordinate with ruthenfum(Ⅱ) to form a new series of mononuclear complexes and the electronic absorption of these complexes were measured and reasonably assigned.

Effect of Boron (Nitrogen)-Divacancy Complex Defects on the Electronic Properties of Graphene Nanoribbon

We report the effect of boron (nitrogen)-divacancy complex defects on the electronic properties of graphene nanoribbon by means of density functional theory. It is found that the defective subbands appear in the conduction band and valence band in accordance with boron (nitrogen)-divacancy defect, respectively;the impurity subbands don’t lead to the transition from the metallic characteristic to a semiconducting one. These complex defects affect the electronic band structures around the Fermi level of the graphene nanoribbon;the charge densities of these configurations have also changed distinctly. It is hoped that the theoretical results are helpful in designing the electronic device.

Recent Advances in X-Ray Structures of Metal-Phenoxyl Radical Complexes

An “experimental” valence state of metal complexes is sometime different from the “formal” oxidation state, especially in the species having redox active ligands. This difference can be seen in biological system, such as iron(IV)-porphyrin π-cation radical in some heme proteins and copper(II)-phenoxyl radical in galactose oxidase (GO). Although structural characterizations of these species by X-ray diffraction methods have been rare due to their stability, some artificial metal-phenoxyl radical complexes have been synthesized and successfully characterized by X-ray crystal structure. In this review, syntheses and X-ray crystal structures of the one-electron oxidized metal-phenolate complexes, metal- phenoxyl radical, and high-valent metal phenolate species are discussed.

ELECTRONIC STRUCTURE AND BOND CHARACTER OF COMPLEXES OF RARE EARTH CHLORIDES WITH CROWN ETHERS

A series of lanthanide complexes LnCl_3·L(Ln=La,Pr,Nd;L=15-C-5 or 18-C-6)have been synthesized and their molecular configuration,electronic structure and bond character have been studied by XPS and quantum chemical calculation.The calculated results are in good agreement with that obtained in the experiments.Three Cl atoms are on the same side of Ln in LnCl_3·15-C-5 and the crown ring on the other side.forming a complex molecule with coordination number 8.LnCl_3·15-C-5 is easily hygroscopic in air because of its unsaturated coordination,which differs sharply from the stable Ln(NO_3)_3·15-C-5 com- plex of coordination number 11.The HOMO and neighboring occupied MOs are composed of Cl 3p and O2p, and the LUMO and neighboring unoccupied MOs are composed of Ln orbitals.The level structure easily pro- duces Ln3d satellite in XPS caused by L→Ln charge transfer transition.Due to the coordination,the absolute values of the charge are decreased at Ln and O atoms,but increased at Cl atoms,which is in agreement with XPS results.

Effect of Electron and/or Ion Nonthermality on Dust Acoustic Wave Propagation in a Complex Plasma in Presence of Positively Charged Dust Grains Generated by Secondary Electron Emission Process

In this paper we have developed a model to study the role of both electron and ion nonthermalities on dust acoustic wave propagation in a complex plasma in presence of positively charged dust grains. Secondary electron emission from dust grains has been considered as the source of positive dust charging. As secondary emission current depends on the flux of primary electrons, nonthermality of primary electrons changes the expression of secondary emission current from that of earlier work where primary electrons were thermal. Expression of nonthermal electron current flowing to the positively charged dust grains and consequently the expression of secondary electron current flowing out of the dust grains have been first time calculated in this paper, whereas the expression for nonthermal ion current flowing to the positively charged dust grains is present in existing literature. Dispersion relation of dust acoustic wave has been derived. From this dispersion relation real frequency and growth rate of the wave have been calculated. Results have been plotted for different strength of nonthermalities of electrons and ions.

Investigation of Structural and Electronic Properties of [Tris(Benzene-1,2-Dithiolato)M]^3-(M = V, Cr, Mn, Fe and Co) Complexes: A Spectroscopic and Density Functional Theoretical Study

In this study, the first raw transition metals from V to Co complexes with benzene-1,2-dithiolate (L2-) ligand have been studied theoretically to elucidate the geometry, electronic structure and spectroscopic properties of the complexes. Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) methods have been used. The ground state geometries, binding energies, spectral properties (UV-vis), frontier molecular orbitals (FMOs) analysis, charge analysis and natural bond orbital (NBO) have been investigated. The geometrical parameters are in good agreement with the available experimental data. The metal-ligand binding energies are 1 order of magnitude larger than the physisorption energy of a benzene-1, 2-dthiolate molecule on a metallic surface. The electronic structures of the first raw transition metal series from V to Co have been elucidated by UV-vis spectroscopic using DFT calculations. In accordance with experiment the calculated electronic spectra of these tris complexes show bands at 522, 565, 559, 546 and 863 nm for V3+, Cr3+, Mn3+, Fe3+ and Co3+ respectively which are mainly attributed to ligand to metal charge transfer (LMCT) transitions. The electronic properties analysis shows that the highest occupied molecular orbital (HOMO) is mainly centered on metal coordinated sulfur atoms whereas the lowest unoccupied molecular orbital (LUMO) is mainly located on the metal surface. From calculation of intramolecular interactions and electron delocalization by natural bond orbital (NBO) analysis, the stability of the complexes was estimated. The NBO results showed significant charge transfer from sulfur to central metal ions in the complexes, as well as to the benzene. The calculated charges on metal ions are also reported at various charge schemes. The calculations show encouraging agreement with the available experimental data.

Electric field in two-dimensional complex plasma crystal:Simulated lattices

We focus on molecular dynamics simulated two-dimensional complex plasma crystals. We use rigid walls as a confinement force and produce square and rectangular crystals. We report various types of two-row crystals. The narrow and long crystals are likely to be used as wigglers; therefore, we simulate such crystals. Also, we analyze the electric fields of simulated crystals. A bit change in lattice parameters can change the internal structures of crystals and their electric fields notably. These parameters are the number of grains, grains charge, length, and width of the crystal. With the help of electric fields, we show the details of crystal structures.

Electron Spin Resonance(ESR)Spectroscopy of the Transition-Metal Complexes and ClustersⅠ.Systematic Investigations of Real-and Complex-Orbital Methods for Calculating the d-Orbital Energies of a Low-Spin(S=1/2)nd^5(t_2~5,~2T_2

A model of electronic intersupplemental states was presented for calculating the d orbital energies of a distorted octahedral low spin ( S =1/2) n d 5(t 5 2, 2T 2)(n=3, 4, 5) multielectron system, and the 6 dimensional eigenmatrices of two new types in real and complex orbital representations were derived from this electron model forth. In comparison with real and complex orbital methods offered by the hole model, the real and complex orbital methods reported in this paper not only could give directly all the electronic structure parameters for the n d 5(t 5 2, 2T 2) multielectron system, but also showed many other new advantages such as standardization in theory, systematization in method, agreement in calculation and so on.