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Interfacial Layer materials with a Truxene Core for Dopant-Free NiOx-Based Inverted Perovskite Solar Cells

Small 2024年第33期20卷 e2310939页

作者： Ramanujam, Rajarathinam Hsu, Hsiang-Lin Shi, Zhong-En Lung, Chien-Yu Lee, Chin-Han Wubie, Gebremariam Zebene Chen, Chih-Ping Sun, Shih-Sheng Institute of Chemistry Academia Sinica Nankang Taipei11529 Taiwan Taiwan International Graduate Program Sustainable Chemical Science and Technology Academia Sinica Nankang Taipei11529 Taiwan Department of Applied Chemistry National Yang Ming Chiao Tung University Hsinchu30050 Taiwan Department of Materials Engineering Ming Chi University of Technology 84 Gunjuan Road Taishan New Taipei City24301 Taiwan College of Engineering and Center for Sustainability and Energy Technologies Chang Gung University Taoyuan33302 Taiwan

Nickel oxide (NiOx) is commonly used as a holetransporting material (HTM) in p-i-n perovskite solar cells. However, the weak chemical interaction between the NiOx and CH3NH3PbI3 (MAPbI3) interface results in poor crystallinity, ineffective hole extraction, and enhanced carrier recombination, which are the leading causes for the limited stability and power conversion efficiency (PCE). Herein, two HTMs, TRUX-D1 (N2,N7,N12-tris(9,9-dimethyl-9H-fluoren-2-yl)-5,5,10,10,15,15-hexaheptyl-N2,N7,N12-tris(4-methoxyphenyl)-10,15-dihydro-5H-diindeno[1,2-a:1′,2′-c]fluorene-2,7,12-triamine) and TRUX-D2 (5,5,10,10,15,15-hexaheptyl-N2,N7,N12-tris(4-methoxyphenyl)-N2,N7,N12-tris(10-methyl-10H-phenothiazin-3-yl)-10,15-dihydro-5H-diindeno[1,2-a:1′,2′-c]fluorene-2,7,12-triamine), are designed with a rigid planar C3 symmetry truxene core integrated with electron-donating amino groups at peripheral positions. The TRUX-D molecules are employed as effective interfacial layer (IFL) materials between the NiOx and MAPbI3 interface. The incorporation of truxene-based IFLs improves the quality of perovskite crystallinity, minimizes nonradiative recombination, and accelerates charge extraction which has been confirmed by various characterization techniques. As a result, the TRUX-D1 exhibits a maximum PCE of up to 20.8% with an impressive long-term stability. The unencapsulated device retains 98% of their initial performance following 210 days of aging in a glove box and 75.5% for the device after 80 days under ambient air condition with humidity over 40% at 25 °C. © 2024 Wiley-VCH GmbH.

关键词： Passivation

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Transient and elusive intermediate states in self-assembly processes: An overview

Responsive Materials

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Responsive materials 2024年第2期2卷

作者： Ziyi Zhang Ze Hu Junfei Xing Quan Li Institute of Advanced Materials and School of Chemistry and Chemical Engineering Southeast University Nanjing China Materials Science Graduate Program Kent State University Kent Ohio USA Junfei Xing and Quan Li.

The transient and elusive intermediate states are the keys in self-assembly processes, which are common phenomena shaping the structure, properties, and functionalities of assembled materials across many scientific domains. However, the understanding about the intermediate states of self-assembly process is always challenging and limited. In this review, we focus on these states by combining theoretical and experimental approaches. By examining a wide variety of self-assembly systems that span from biological to metal–organic nanostructures, this review uncovers the wealth of intermediate states of self-assembled materials. In addition to combining the current knowledge, it will identify challenges and provide a new insight into the opportunities for future research.

关键词： biotechnology intermediate state materials science nanostructure self-assembly

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Utilization of ornamental rock waste as a catalytic support for α-MoO₃ in biodiesel production

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Scientific reports 2025年第1期15卷 19152页

作者： H B Sales M S Oliveira A L Silva H L Pereira A C F M Costa M C F Alves Laboratory of Ceramic Materials Synthesis (LabSMac) Graduate Program in Materials Science and Engineering (PPGCEMat) Academic Unit of Materials Engineering (UAEMa) Federal University of Campina Grande (UFCG) Rua Aprígio Veloso 882 Bodocongó 58.429-900 Campina Grande PB Brazil. herbet_bezerra@***. Laboratory of Ceramic Materials Synthesis (LabSMac) Graduate Program in Materials Science and Engineering (PPGCEMat) Academic Unit of Materials Engineering (UAEMa) Federal University of Campina Grande (UFCG) Rua Aprígio Veloso 882 Bodocongó 58.429-900 Campina Grande PB Brazil. Laboratory of Inorganic Materials for Environmental Catalysis Research Department of Chemistry (MATIPECA) Graduate Program in Chemistry (PPGQ) DQ State University of Paraíba (UEPB) Rua Baraúnas 351 Universitário 58.429-500 Campina Grande PB Brazil.

This study aimed to explore the use of ornamental stone waste as a support for the α-MoO₃ catalyst to develop efficient and sustainable heterogeneous systems for biodiesel production. The catalysts were characterized using physicochemical techniques including X-ray diffraction with Rietveld refinement, FTIR and Raman spectroscopy, scanning electron microscopy with EDS, transmission electron microscopy, nitrogen adsorption/desorption (BET method), particle size distribution, ammonia temperature-programmed desorption (TPD-NH₃), magnetic measurements, and gas chromatography to analyze simultaneous transesterification/esterification (TES) reactions and quantify methyl and ethyl esters. XRD patterns revealed crystalline phases such as mica-biotite, ferro-tschermakite, albite, quartz, and iron-magnesium silicates-components of the catalytic support-as well as orthorhombic α-MoO₃ phases, also confirmed in the heterogeneous systems. FTIR and Raman analyses showed characteristic vibrational bands, while SEM images displayed irregular agglomerates, corroborated by TEM. Nitrogen adsorption isotherms indicated mesoporous structures with surface areas ranging from 0.615 to 3.87 m²/g. Particle size analysis showed D₅₀ values between 5.02 and 20.00 μm, with total acidity ranging from 77.0 to 245 µmol/g of NH₃. Magnetic tests indicated ferrimagnetic behavior. The catalytic performance confirmed the effectiveness of the waste as a support for α-MoO₃, particularly in the system containing 40% Mo ions (40%σ-MoO₃:Waste), which achieved conversions between 78% and 95%. These findings highlight the environmental and technological potential of the studied catalysts, reinforcing the economic viability and ecological relevance of reusing industrial waste in the sustainable production of biodiesel from waste oils.

关键词： And sustainability Green technology Heterogeneous catalysis Industrial waste MoO₃ Waste oils

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Affordable, high-resolution bioprinting with embedded concentration gradients

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Bioprinting 2021年 21卷

作者： Shen, Edwin M. McCloskey, Kara E. Graduate Program in Biological Engineering and Small-scale Technologies University of California Merced United States Department of Materials Science and Engineering University of California Merced United States

Three-dimensional (3D) bioprinting has brought major innovations to the field in its ability to fabricate cell-laden constructs that closely resemble physiological tissue. Unfortunately, many bioprinters print only one material and at limited resolutions. Improving on the resolutions, functionality, and affordability necessitates attention to both printing techniques and printers. Here, we present our results towards building an affordable, partially open-source bioprinter, ModiPrint, that enables multiple cell-material combination printing with high resolution extrusions (100 μm) of alginate. We also introduce a new technique to improve extrusion resolution in complex geometries. The results show that we were able to maintain viability of human pluripotent stem cells (hiPSCs) after high resolution printing. Lastly, we were able to generate concentration gradients of small molecules or cytokines embedded within hydrogels by combining extrusion and drop-on-demand bioprinting. We expect ModiPrint and the novel techniques in our study will assist other bioprinting researchers. © 2020 The Authors

关键词： Alginate Biomimicry Bioprinting Concentration gradients FRESH Hydrogels ModiPrint Open-source Pluripotent stem cells

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Local and global measures of the shear moduli of jammed disk packings

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Physical Review E 2023年第5期107卷 054903-054903页

作者： Shiyun Zhang Weiwei Jin Dong Wang Ding Xu Jerry Zhang Mark D. Shattuck Corey S. O'Hern Department of Physics University of Science and Technology of China Hefei Anhui 230026 China Department of Mechanical Engineering and Materials Science Yale University New Haven Connecticut 06520 USA Benjamin Levich Institute and Physics Department The City College of New York New York New York 10031 USA Department of Physics Yale University New Haven Connecticut 06520 USA Department of Applied Physics Yale University New Haven Connecticut 06520 USA Graduate Program in Computational Biology and Bioinformatics Yale University New Haven Connecticut 06520 USA

Strain-controlled isotropic compression gives rise to jammed packings of repulsive, frictionless disks with either positive or negative global shear moduli. We carry out computational studies to understand the contributions of the negative shear moduli to the mechanical response of jammed disk packings. We first decompose the ensemble-averaged, global shear modulus as 〈G〉=(1−F−)〈G+〉+F−〈G−〉, where F− is the fraction of jammed packings with negative shear moduli and 〈G+〉 and 〈G−〉 are the average values from packings with positive and negative moduli, respectively. We show that 〈G+〉 and 〈|G−|〉 obey different power-law scaling relations above and below pN2∼1. For pN2>1, both 〈G+〉N and 〈|G−|〉N∼(pN2)β, where β∼0.5 for repulsive linear spring interactions. Despite this, 〈G〉N∼(pN2)β′ with β′≳0.5 due to the contributions from packings with negative shear moduli. We show further that the probability distribution of global shear moduli P(G) collapses at fixed pN2 and different values of p and N. We calculate analytically that P(G) is a Γ distribution in the pN2≪1 limit. As pN2 increases, the skewness of P(G) decreases and P(G) becomes a skew-normal distribution with negative skewness in the pN2≫1 limit. We also partition jammed disk packings into subsystems using Delaunay triangulation of the disk centers to calculate local shear moduli. We show that the local shear moduli defined from groups of adjacent triangles can be negative even when G>0. The spatial correlation function of local shear moduli C(r⃗) displays weak correlations for pnsub2<10−2, where nsub is the number of particles within each subsystem. However, C(r⃗) begins to develop long-ranged spatial correlations with fourfold angular symmetry for pnsub2≳10−2.

关键词： Jamming Packing & jamming problems Granular materials

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Anharmonic effects on lattice dynamics and thermal transport of two-dimensional InTe Monolayer

arXiv

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arXiv 2022年

作者： Alqurashi, Hind Pandit, Abhiyan Hamad, Bothina Materials Science and Engineering Graduate Program University of Arkansas FayettevilleAR72701 United States Physics Department The College of Science Al Baha University Al Baha65527 Saudi Arabia Department of Physics University of Arkansas FayettevilleAR72701 United States Physics Department The University of Jordan Amman11942 Jordan

The lattice thermal conductivity (kl) plays a key role in the performance of thermoelectric (TE) materials, where the lower values lead to higher figure of merit values. Two-dimensional (2D) group III-VI monolayers such as InTe are promising materials for TE energy generation owing to their low kl that lead to high TE figure of merit values. In this work, we investigate the influence of the lattice anharmonicity on the lattice thermal conductivity of InTe monolayer. The thermodynamic parameters are calculated by using the self-consistent phonon (SCP) theory. The kl value of the InTe monolayer is obtained to be 0.30 Wm−1 K−1 by using the standard Boltzmann transport equation (BTE) approach, while it is 3.58 Wm−1 K−1 by using SCP + BTE approach. These results confirm the importance of the anharmonic effects on the kl value, where it was found to be significantly higher (91%) using the SCP + BTE approach than that obtained using the standard BTE approach. © 2022, CC BY.

关键词： Monolayers

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General framework for the mechanical response of metallic glasses during strain-rate-dependent uniaxial compression

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Physical Review materials 2023年第10期7卷 105604-105604页

作者： Weiwei Jin Amit Datye Udo D. Schwarz Mark D. Shattuck Corey S. O'Hern Department of Mechanical Engineering and Materials Science Yale University New Haven Connecticut 06520 USA Department of Chemical and Environmental Engineering Yale University New Haven Connecticut 06520 USA Benjamin Levich Institute and Physics Department The City College of New York New York New York 10031 USA Department of Physics Yale University New Haven Connecticut 06520 USA Department of Applied Physics Yale University New Haven Connecticut 06520 USA Graduate Program in Computational Biology and Bioinformatics Yale University New Haven Connecticut 06520 USA

Experimental data on compressive strength σmax versus strain rate ɛ̇eng for metallic glasses undergoing uniaxial compression show varying strain rate sensitivity. For some metallic glasses, σmax decreases with increasing ɛ̇eng, while for others, σmax increases with increasing ɛ̇eng, and for certain alloys σmax versus ɛ̇eng is nonmonotonic. To understand their strain rate sensitivity, we conduct molecular dynamics simulations of metallic glasses undergoing uniaxial compression at finite strain rates and coupled to heat baths with a range of temperatures T0 and damping parameters b. In the T0→0 and b→0 limits, we find that the compressive strength σmax versus temperature T obeys a “chevron-shaped” scaling relation. In the low-strain-rate regime, σmax decreases linearly with increasing T, whereas σmax grows as a power law with decreasing T in the high-strain-rate regime. For T0>0, σmax(T) deviates from the scaling curve at low strain rates, but σmax(T) rejoins the scaling curve as the strain rate increases. Enhanced dissipation reduces compression-induced heating, which causes σmax(T) to deviate from the b→0 scaling behavior for intermediate strain rates, but σmax(T) converges to the high-strain-rate power-law scaling behavior at sufficiently high strain rates. Determining σmax(T) as a function of b and T0 provides a general framework for explaining the strain rate sensitivity of metallic glasses under compression.

关键词： Compressive strength Mechanical deformation Amorphous materials Metallic glasses Molecular dynamics

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Topological transformations of a nematic drop

arXiv

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arXiv 2023年

作者： Koizumi, Runa Golovaty, Dmitry Alqarni, Ali Li, Bing-Xiang Sternberg, Peter J. Lavrentovich, Oleg D. Advanced Materials and Liquid Crystal Institute Materials Science Graduate Program Kent State University KentOH44242 United States Department of Mathematics The University of Akron AkronOH44325-4002 United States College of Electronics and Optical Engineering College of Microelectronics Nanjing University of Posts and Telecommunications Nanjing210023 China Department of Mathematics Indiana University BloomingtonIN47405 United States Department of Physics Kent State University KentOH44242 United States

Morphogenesis of living systems involves topological shape transformations which are highly unusual in the inanimate world. Here we demonstrate that a droplet of a nematic liquid crystal changes its equilibrium shape from a simply-connected tactoid, which is topologically equivalent to a sphere, to a torus, which is not simply-connected. The topological shape transformation is caused by the interplay of nematic elastic constants, which facilitates splay and bend of molecular orientations in tactoids but hinders splay in the toroids. The elastic anisotropy mechanism might be helpful in understanding topology transformations in morphogenesis and paves the way to control and transform shapes of droplets of liquid crystals and related soft materials. © 2023, CC BY.

关键词： Drops

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Reshaped Weyl fermionic dispersions driven by Coulomb interactions in MoTe2

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Physical Review B 2022年第4期105卷 045143-045143页

作者： Seoung-Hun Kang Sangjun Jeon Hyun-Jung Kim Wonhee Ko Suyeon Cho Se Hwang Kang Sung Wng Kim Heejun Yang Hyo Won Kim Young-Woo Son Korea Institute for Advanced Study Seoul 02455 Korea Department of Physics Chung-Ang University Seoul 06974 Korea Peter Grünberg Institut and Institute for Advanced Simulation Forschungszentrum Jülich and JARA D-52425 Jülich Germany Samsung Advanced Institute of Technology Suwon 16678 Korea Center for Nanophase Materials Sciences Oak Ridge National Laboratory Oak Ridge Tennessee 37831 USA Department of Chemical Engineering and Materials Science Graduate Program in System Health Science and Engineering Ewha Womans University Seoul 03760 Korea Department of Energy Science Sungkyunkwan University Suwon 16419 Korea Department of Physics Korea Advanced Institute of Science and Technology Daejeon 34141 Korea

We report the direct evidence of impacts of the Coulomb interaction in a prototypical Weyl semimetal, MoTe2, that alter its bare bands in a wide range of energy and momentum. Our quasiparticle interference patterns measured using scanning tunneling microscopy are shown to match the joint density of states of quasiparticle energy bands including momentum-dependent self-energy corrections, while electronic energy bands based on the other simpler local approximations of the Coulomb interaction fail to explain neither the correct number of quasiparticle pockets nor the shape of their dispersions observed in our spectrum. With this, we predict a transition between type-I and type-II Weyl fermions with doping and resolve its disparate quantum oscillation experiments, thus highlighting the critical roles of Coulomb interactions in layered Weyl semimetals.

关键词： Electronic structure First-principles calculations Quasiparticles & collective excitations Topological materials Weyl fermions Scanning electron microscopy Scanning tunneling spectroscopy

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Quantifying Efficiency of Remote Excitation for Surface Enhanced Raman Spectroscopy in Molecular Junctions

arXiv

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arXiv 2023年

作者： Liao, Shusen Zhu, Yunxuan Ye, Qian Sanders, Stephen Yang, Jiawei Alabastri, Alessandro Natelson, Douglas Applied Physics Graduate Program Smalley-Curl Institute Rice University HoustonTX77005 United States Department of Physics and Astronomy Rice University HoustonTX77005 United States Department of Electrical and Computer Engineering Rice University HoustonTX77005 United States Department of Materials Science and NanoEngineering Rice University HoustonTX77005 United States

Surface-enhanced Raman spectroscopy (SERS) is enabled by local surface plasmon resonances (LSPRs) in metallic nanogaps. When SERS is excited by direct illumination of the nanogap, the background heating of lattice and electrons can prevent further manipulation of the molecules. To overcome this issue, we report SERS in electromigrated gold molecular junctions excited remotely: surface plasmon polaritons (SPPs) are excited at nearby gratings, propagate to the junction, and couple to the local nanogap plasmon modes. Like direct excitation, remote excitation of the nanogap can generate both SERS emission and an open-circuit photovoltage (OCPV). We compare SERS intensity and OCPV in both direct and remote illumination configurations. SERS spectra obtained by remote excitation are much more stable than those obtained through direct excitation when photon count rates are comparable. By statistical analysis of 33 devices, coupling efficiency of remote excitation is calculated to be around 10%, consistent with the simulated energy flow. Copyright © 2023, The Authors. All rights reserved.

关键词： Raman spectroscopy

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