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Vanadium-Containing Chloroperoxidase-Catalyzed Versatile Valorization of Phenols and Phenolic Acids

Li, Huanhuan (author), Duan, Peigao (author), Huang, Yawen (author), Cui, Chengsen (author), Hollmann, F. (author), Ma, Yunjian (author), Wang, Yonghua (author), Zhang, Jie (author), Liu, Weidong (author), Zhang, Wuyuan (author)

The downstream product transformation of lignin depolymerization is of great interest in the production of high-value aromatic chemicals. However, this transformation is often impeded by chemical oxidation under harsh reaction conditions. In this study, we demonstrate that hypohalites generated in situ by the vanadium-containing...

journal article 2024

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Electromigration-induced local dewetting in Cu films

Zhang, Y. (author), Mo, J. (author), Cui, Z. (author), Vollebregt, S. (author), Zhang, Kouchi (author)

The continuous downscaling of microelectronics has introduced many reliability issues on interconnect. Electromigration and dewetting are major reliability concerns in high-temperature micro- and nanoscale devices. In this paper, the local dewetting of copper thin film during the electromigration test was first found and investigated. When...

conference paper 2023

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Effect of Passivation and Mechanical Constraint on Electromigration in Interconnect

Cui, Z. (author), Fan, X. (author), Zhang, Kouchi (author)

In this paper, we apply the Eshelby's solution to study the effect of passivation layer on electromigration (EM) failure in a conductor. The passivation layer is considered as an elastic material, not a rigid layer anymore. Thus, the deformation and stress evolution in the conductor during EM are related to the mechanical property of the...

conference paper 2023

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Effect of Thermomigration on Electromigration in SWEAT Structures

Cui, Z. (author), Fan, Xuejun (author), Zhang, Kouchi (author)

This paper investigates thermomigration (TM) and electromigration (EM) in SWEAT structure. Firstly, the distribution of temperature along SWEAT structure during EM is obtained by using finite element (FE) simulation. The FE simulation results show that the temperature is almost uniformly distributed in the most region of narrow line in SWEAT...

conference paper 2023

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Bio-inspired combinable self-powered soft device operating during the disintegration and reconstruction for next-generation artificial electric organs

Chen, Yuanyuan (author), Dai, Hanqing (author), Hu, Zhe (author), Wei, Jinxin (author), Zhou, Wenjie (author), Duan, Zhongtao (author), Cui, Zhongjie (author), Wei, Wei (author), Zhang, Kouchi (author)

Hydrogel materials have biocompatibility, flexibility, transparency, self-healing ability, adhesion with various substrates, anti-freeze ability, and high-temperature resistance. However, the existing hydrogel devices cannot continue to operate in the case of damage, and they cannot work during the repair period, which brings great challenges...

journal article 2023

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Coupling model of electromigration and experimental verification – Part I: Effect of atomic concentration gradient

Cui, Z. (author), Fan, X. (author), Zhang, Y. (author), Vollebregt, S. (author), Fan, J. (author), Zhang, Kouchi (author)

This paper presented integrated electromigration (EM) studies through experiment, theory, and simulation. First, extensive EM tests were performed using Blech and standard wafer-level electromigration acceleration test (SWEAT)-like structures, which were fabricated on four-inch wafers. Second, a molecular dynamics (MD) simulation-based...

journal article 2023

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Coupling model of electromigration and experimental verification – Part II: Impact of thermomigration

Cui, Z. (author), Fan, X. (author), Zhang, Y. (author), Vollebregt, S. (author), Fan, J. (author), Zhang, Kouchi (author)

This paper presented a comprehensive experimental and simulation study for thermomigration (TM) accompanying electromigration (EM) at elevated current densities. Both Blech and standard wafer-level electromigration acceleration test (SWEAT)-like test structures, with aluminum (Al) as a carrier, were used for testing and analysis. In Part I of...

journal article 2023

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Effects of temperature and grain size on diffusivity of aluminium: electromigration experiment and molecular dynamic simulation

Cui, Z. (author), Zhang, Y. (author), Hu, D. (author), Vollebregt, S. (author), Fan, J. (author), Fan, X. (author), Zhang, Kouchi (author)

Understanding the atomic diffusion features in metallic material is significant to explain the diffusion-controlled physical processes. In this paper, using electromigration experiments and molecular dynamic (MD) simulations, we investigate the effects of grain size and temperature on the self-diffusion of polycrystalline aluminium (Al). The...

journal article 2022

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The effect of riboflavin on the microbiologically influenced corrosion of pure iron by Shewanella oneidensis MR-1

Chang, Weiwei (author), Li, Yangyang (author), Li, Z. (author), Lou, Yuntian (author), Cui, Tianyu (author), Qian, Hongchang (author), Mol, J.M.C. (author), Zhang, Dawei (author)

The microbiologically influenced corrosion of pure iron was investigated in the presence of Shewanella oneidensis MR-1 with various levels of exogenous riboflavin (RF) serving as electron shuttles for extracellular electron transfer (EET). With more RF available, a larger and denser phosphate layer was formed on the surface of pure iron by...

journal article 2022

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Sulfur-Rich Ageing Mechanism of Silicone Encapsulant Used in LED Packaging: An Experimental and Molecular Dynamic Simulation Study

Chen, Wei (author), Chen, Ye (author), Cao, Yixing (author), Cui, Z. (author), Fan, Xuejun (author), Zhang, Kouchi (author), Fan, J. (author)

In a light-emitting diode (LED) package, silicone encapsulant serves as a chip protector and enables the light to transmit, since it exhibits the advantages of high light transmittance, high refractive index, and high thermal stability. However, its reliability is still challenged under harsh operation conditions. In this study, the optical...

journal article 2022

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Implementation of Fully Coupled Electromigration Theory in COMSOL

Cui, Z. (author), Fan, X. (author), Zhang, Kouchi (author)

In this paper, a 3D and fully coupled electromigration modeling is implemented using COMSOL. The fully coupled multi-physics theory has a unique set of partial differential equations, which cannot be directly simulated with the standard finite element software such as ABAQUS and ANSYS. With the weak form PDE modulus in COMSOL, the weak form of...

conference paper 2022

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Directed evolution of phosphite dehydrogenase to cycle noncanonical redox cofactors via universal growth selection platform

Zhang, Linyue (author), King, Edward (author), Black, William B. (author), Heckmann, C.M. (author), Wolder, A.E. (author), Cui, Youtian (author), Nicklen, Francis (author), Siegel, Justin B. (author), Paul, C.E. (author)

Noncanonical redox cofactors are attractive low-cost alternatives to nicotinamide adenine dinucleotide (phosphate) (NAD(P)⁺) in biotransformation. However, engineering enzymes to utilize them is challenging. Here, we present a high-throughput directed evolution platform which couples cell growth to the in vivo cycling of a...

journal article 2022

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Chemoenzymatic Hunsdiecker-Type Decarboxylative Bromination of Cinnamic Acids

Li, Huanhuan (author), Younes, S.H.H. (author), Chen, Shaohang (author), Duan, Peigao (author), Cui, Chengsen (author), Wever, Ron (author), Zhang, Wuyuan (author), Hollmann, F. (author)

In this contribution, we report chemoenzymatic bromodecarboxylation (Hunsdiecker-type) of α,ß-unsaturated carboxylic acids. The extraordinarily robust chloroperoxidase from Curvularia inaequalis (CiVCPO) generated hypobromite from H2O2 and bromide, which then spontaneously reacted with a broad range of unsaturated carboxylic acids and yielded...

journal article 2022

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Strain-engineered S-HfSe₂ monolayer as a promising gas sensor for detecting NH₃: A first-principles study

Yang, Huiru (author), Li, Junfeng (author), Shao, Ziyuan (author), Tan, C. (author), Gao, Chenshan (author), Cui, Hongyuan (author), Tang, Xiaosheng (author), Liu, Yufei (author), Zhang, Kouchi (author), Ye, H. (author)

The development of high-performance gas sensing materials is one of the development trends of new gas sensor technology. In this work, in order to predict the gas-sensitive characteristics of HfSe₂ and its potential as a gas-sensitive material, the interactions of nonmetallic element (O, S, Te) doped HfSe₂ monolayer and...

journal article 2022

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Insights into the high-sulphur aging of sintered silver nanoparticles: An experimental and ReaxFF study

Hu, D. (author), Gu, Tijian (author), Cui, Z. (author), Vollebregt, S. (author), Fan, Xuejun (author), Zhang, Kouchi (author), Fan, J. (author)

In high power electronics packaging, sintered silver nanoparticle joints suffer from thermal-humidity- electrical-chemical joint driven corrosion in extreme environments. In this paper, we conducted aging tests on sintered silver nanoparticles under high-temperature, high-humidity, and high-sulphur conditions. The results show that: (1) the...

journal article 2021

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Adaptive bidirectional extracellular electron transfer during accelerated microbiologically influenced corrosion of stainless steel

Li, Z. (author), Chang, Weiwei (author), Cui, Tianyu (author), Xu, Dake (author), Zhang, Dawei (author), Lou, Yuntian (author), Qian, Hongchang (author), Song, Hao (author), Mol, J.M.C. (author), Cao, Fahe (author), Gu, Tingyue (author), Li, Xiaogang (author)

Microbiologically influenced corrosion of metals is prevalent in both natural and industrial environments, causing enormous structural damage and economic loss. Exactly how microbes influence corrosion remains controversial. Here, we show that the pitting corrosion of stainless steel is accelerated in the presence of Shewanella oneidensis MR...

journal article 2021

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Effects of Defect and Temperature on the Mechanical Performance of WS₂: A Multiscale Analysis

Tang, H. (author), Hu, D. (author), Cui, Z. (author), Ye, H. (author), Zhang, Kouchi (author)

This paper analyzes the mechanical properties of tungsten disulfide (WS2) by means of multiscale simulation, including density functional theory (DFT), molecular dynamic (MD) analysis, and finite element analysis (FEA). We first conducted MD analysis to calculate the mechanical properties (i.e., Young's modulus and critical stress) of WS2....

journal article 2021

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The interface adhesion of CaAlSiN₃: Eu²⁺ phosphor/silicone used in light-emitting diode packaging: A first principles study

Cui, Z. (author), Fan, J. (author), van Ginkel, H.J. (author), Fan, Xuejun (author), Zhang, Kouchi (author)

The CaAlSiN₃:Eu²⁺ red phosphor and its silicone/phosphor composite are very promising materials used in the high color rendering white light-emitting diode (LED) packaging. However, the reliabilities of CaAlSiN₃:Eu²⁺ and its composite are still being challenged by phosphor hydrolysis at high...

journal article 2020

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Entropy generation methodology for defect analysis of electronic and mechanical components-A review

Cai, Miao (author), Cui, Peng (author), Qin, Yikang (author), Geng, Daoshuang (author), Wei, Qiqin (author), Wang, Xiyou (author), Yang, Daoguo (author), Zhang, Kouchi (author)

Understanding the defect characterization of electronic and mechanical components is a crucial step in diagnosing component lifetime. Technologies for determining reliability, such as thermal modeling, cohesion modeling, statistical distribution, and entropy generation analysis, have been developed widely. Defect analysis based on the...

review 2020

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Implementation of General Coupling Model of Electromigration in ANSYS

Cui, Z. (author), Fan, Xuejun (author), Zhang, Kouchi (author)

In this paper, a recently developed theory - general coupling model of electromigration, is implemented in ANSYS. We first identify several errors provided in ANSYS manual for electromigration modeling. Then the general coupling model is implemented in ANSYS and the detailed description is presented. Finally, a 1-D confined metal line with a...

conference paper 2020