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Critical thermoelectric parameters including Seebeck coefficient, electrical conductivity, thermal conductivity and figure of merit ZT of one-dimensional coaxial Bi2Te3/Sb2Te3 nanocomposite were modeled by following the single carrier…

Materials Science · Physics 2011-01-31 Qilin Gu

We introduce a simple but efficient electronic fitness function (EFF) that describes the electronic aspect of the thermoelectric performance. This EFF finds materials that overcome the inverse relationship between $\sigma$ and $S$ based on…

Materials Science · Physics 2017-11-22 Guangzong Xing , Jifeng Sun , Yuwei Li , Xiaofeng Fan , Weitao Zheng , David J. Singh

Adding thermal conductivity enhancements to increase thermal power in solid-liquid phase-change thermal energy storage modules compromises volumetric energy density and often times reduces the mass and volume of active phase change material…

Materials Science · Physics 2020-11-26 Darin J. Sharar , Asher C. Leff , Adam A. Wilson , Andrew Smith

We propose energy bandpass filtering employed using the idea of anti-reflection heterostructures as a means to reduce the energy requirements of a superlattice phase change memory based on GeTe and Sb$_{2}$Te$_{3}$ heterostructures.…

Mesoscale and Nanoscale Physics · Physics 2020-06-30 Jyotsna Bahl , Pankaj Priyadarshi , Bhaskaran Muralidharan

The global shift towards a carbon-neutral society has accelerated the demand for green energy, driving research into efficient technologies for harvesting energy from low-grade waste heat. Recently, transverse thermoelectrics based on the…

High entropy materials (HEMs) are of great interest for their mechanical, chemical and electronic properties. In this paper we analyse (TaNbHfTiZr)C, a carbide type of HEM, both in crystalline and amorphous phases, using density functional…

The use of highly active and robust catalysts is crucial for producing green hydrogen by water electrolysis as we strive to achieve global carbon neutrality. Noble metals like platinum are currently used in industry for the hydrogen…

This article proposes an energy storage-enhanced hydrogen electrolyzer (ESEHE) to provide grid-forming (GFM) services for off-grid renewable power to hydrogen (ReP2H) systems. Unlike conventional ReP2H systems that use a centralized energy…

Optimization and Control · Mathematics 2026-03-03 Yiwei Qiu , Jiahao Hu , Yi Zhou , Jie Zhu , Li Jiang , Shi Chen , Buxiang Zhou

Hydrothermal liquefaction (HTL) followed by catalytic hydrotreating of the produced biocrude is increasingly gaining ground as an effective technology for the conversion of biomass into liquid biofuels. A strong advantage of HTL resides in…

Chemical Physics · Physics 2019-04-12 Daniele Castello , Muhammad Salman Haider , Lasse Aistrup Rosendahl

A deeper understanding of the cathode electrolyte interphase (CEI) formation mechanism is essential to elucidate battery degradation. Here, we combine Liquid Electrochemical Transmission Electron Microscopy (ec-TEM) with Gas…

Thermoelectric energy conversion - the exploitation of the Seebeck effect to convert waste heat into electricity - has attracted an increasing amount of research attention for energy harvesting technology. Niobium-doped strontium titanate…

Materials Science · Physics 2017-05-18 Yuqiao Zhang , Bin Feng , Hiroyuki Hayashi , Tetsuya Tohei , Isao Tanaka , Yuichi Ikuhara , Hiromichi Ohta

There is an increasing reckoning that the thermoelectric performance of a material is dependent on its microstructure. However, the microstructure-properties relationship often remains elusive, in part due to the complexity of the hierarchy…

We studied the microstructural and helium bubbling evolutions of Gd2Zr2O7 waste form with immobilized TRPO (50 wt%) under multi-energy He ion irradiation. Three structurally heterogeneous regions for the Gd2Zr2O7 waste form were found as a…

Materials Science · Physics 2022-02-18 Junjing Duan , Zhangyi Huang , Xunxiang Hu , Haomin Wang , Yao Yang , Esra Y. Mertsoy , Di Wu , Jianqi Qi , Tiecheng Lu

Layered double-hydroxides (LDHs) are superior to the conventional (Transition Metal Oxides) TMOs as their lamellar morphology accommodates higher active sites contributing to the facile electron transfer towards the material degradation…

High-entropy MBenes (HE-MBenes) represent a promising, unexplored class of 2D materials for electrocatalysis. In this work, we present a systematic computational screening of 56 equiatomic quinary HE-MBene compositions from the {Ti, V, Cr,…

Materials Science · Physics 2026-05-12 Sree Harsha Bharadwaj H , Raghavan Ranganathan

The low thermal conductivity of silicon nanostructures, with respect to bulk silicon, opens excellent possibilities for thermoelectric applications because it will enable the use of silicon for the high efficient direct conversion of wasted…

Applied Physics · Physics 2021-03-29 Antonella Masci , Elisabetta Dimaggio , Giovanni Pennelli

Improving the figure of merit $zT$ of thermoelectric materials requires simultaneously a high power factor and low thermal conductivity. An effective approach for increasing the power factor is to align the band extremum and achieve high…

Materials Science · Physics 2019-03-06 Jiangang He , Yi Xia , S. Shahab Naghavi , Vidvuds Ozoliņš , Chris Wolverton

The catalytic properties of Pt2XSe3 (X = Hg, Zn) in hydrogen-electrode- (HER-) based catalysts have been investigated based on state-of-the-art ab initio simulations. Our results show that the late transition metal sites (Hg and Zn) exhibit…

Materials Science · Physics 2025-05-27 Caique C. Oliveira , Pedro A. S. Autreto

Electronic waste (e-waste) is a growing global challenge, with millions of functional components discarded due to the difficulty of repair and reuse. Traditional circuit assembly relies on soldering, which creates semi-permanent bonds that…

Human-Computer Interaction · Computer Science 2025-07-29 Narjes Pourjafarian , Zhenming Yang , Jeffrey I. Lipton , Benyamin Davaji , Gregory D. Abowd

High degree of fluorination for ether electrolytes has resulted in improved cycling stability of lithium metal batteries (LMBs) due to stable SEI formation and good oxidative stability. However, the sluggish ion transport and environmental…

Materials Science · Physics 2023-06-01 Elizabeth Zhang , Yuelang Chen , Zhiao Yu , Yi Cui , Zhenan Bao
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