Results 161 to 170 of about 20,207 (328)

Electronic‐State Programming of Ultrasmall CeO2 Switches H2O2 Activation From Radical to Bio‐Inspired Nonradical 1O2 Generation for Combating Antibiotic Resistance

Advanced Science, EarlyView.
A scalable synthesis of carbon‐supported ultrasmall CeO2 nanoparticles with precisely tunable Ce electron density is reported. Electron‐lean Ce sites activate H2O2 exclusively via a nonradical pathway, enabling efficient HOBr and 1O2 production analogous to bromoperoxidase for contaminant and antibiotic resistance removal.
Bo Yuan, Xinyu Wu, Yin‐Song Liao, Chao Zhao, Zhanping Xiao, Wanqing Dai, Jyh‐Pin Chou, Wenchao Peng, Jian Lin Chen, Pi‐Tai Chou, Yung‐Kang Peng   +10 more
wiley   +1 more source

Excellent Thermoelectric Performance Realized in SnSe Materials via Chemical Bond Tailoring Using GeTe as Molecule Scissors

Advanced Science, EarlyView.
The GeTe acting as “molecule scissors” can tailor chemical bond, the breaking of Ag‐Se bonds and the formation of Ge‐Se bonds occur in the A‐SnSe matrix, along with the formation of Ag2Se precipitates. This process helps to optimize the thermoelectric properties, and also improves its mechanical properties to a certain extent.
Xing Yang, Wang‐Qi Bao, Zi‐Yuan Wang, Ze Li, Rong Li, Yi‐Xin Zhang, Jing Feng, Zhen‐Hua Ge, Li‐Dong Zhao   +8 more
wiley   +1 more source

Mode‐Resolved Phonon Dynamics Under Chemical Pressure in SnTe Thermoelectrics

Advanced Science, EarlyView.
Chemical pressure reshapes low‐energy optical phonons in SnTe, altering their dispersion and scattering with heat‐carrying acoustic modes. Positive and negative pressure states modify phonon frequencies and lifetimes in distinct ways, revealing how mode‐selective lattice perturbations regulate acoustic–optical interactions and suppress lattice thermal ...
Zhihao Li, Jianhong Hu, Panpan Peng, Peng Cao, Hui Zhang, Yujie Zong, Yanhui Wu, Hongchao Wang   +7 more
wiley   +1 more source

Cr1/4NbSe2‐Single Crystal Growth and Evolution of Antiferromagnetic Correlated States

Advanced Science, EarlyView.
High‐quality single crystals Cr1/4NbSe2 were synthesized and comprehensively characterized for the first time. Advanced structural, electronic, and magnetic measurements uncover a correlated antiferromagnetic state, resolving longstanding inconsistencies regarding magnetic behavior derived from earlier polycrystal studies.
Nour Abdelrahman, Bastian Rubrecht, Matheus Felipe de Souza Barbosa, Mahdi Behnami, Dmitriy Efremov, Daniel Wolf, Martin Valldor, Alexey A. Popov, Stanislav M. Avdoshenko, Marco Naumann, Martin Knupfer, Vladislav Kataev, Alexey Alfonsov, Anja U. B. Wolter, Michael Mertig, Bernd Büchner, Silke Hampel   +16 more
wiley   +1 more source

Targeted fine-tuning of machine-learning interatomic potentials for phonons and phase transitions. [PDF]

NPJ Comput Mater
Grandel J, Benner P, George J.
europepmc   +1 more source

Intrinsic i$i$‐Wave Altermagnetism in 2D Graphene Superlattices

Advanced Science, EarlyView.
Altermagnetism has so far been mostly proposed in transition metals compounds. Here we show that monolayer and bilayer graphene antidot superlattices realize a carbon‐based i‐wave altermagnet. This is demonstrated with a combination of symmetry analysis, first principles methods and effective models, featuring a six‐fold spin splitting texture in ...
Cuiju Yu, Jose L. Lado
wiley   +1 more source

LLM‐Assisted Design of Ultralow‐κ$\kappa$ Chalcogenides

Advanced Science, EarlyView.
An AI assisted, physics guided workflow accelerates the discovery of ultralow thermal conductivity materials by combining Bayesian optimization, evidence conditioned LLM reasoning, and automated physics‐based validation. The framework uncovers dynamically stable Ag based chalcogenides with ultralow thermal conductivity and promising thermoelectric ...
Yujie Liu, Congran Jia, Yuzhou Hao, Xuejie Li, Yang Wang, Artem Oganov, Jun Sun, Xiangdong Ding, Turab Lookman, Zhibin Gao   +9 more
wiley   +1 more source

Chiral‐Nematic Lattice Instability in Charge Density Wave of 1T‐TiSe2

Advanced Science, EarlyView.
The charge density wave of 1T‐TiSe2 appears chiral to surface probes yet loses all symmetry in spectroscopic measurements. This study reveals how cooperative condensation of multiple phonon modes stabilizes a chiral monoclinic ground state, while a shallow nematic energy landscape allows the lattice to break the remaining symmetry at negligible cost ...
Abdurrafi Ahsan Alghifari, Euihwan Do, Jae Whan Park, Han Woong Yeom   +3 more
wiley   +1 more source

Calculation of optical properties for systems with large supercells

, 2000
Si and Ge nanocrystals embedded in a wide-gap semiconductor like $\alpha$-SiC are potentially interesting systems for possible electroluminescence applications.
Weissker H. Ch, CAPPELLINI, GIANCARLO, Bechstedt F, B. Adolph B, J. Furthmueller J   +4 more
core  

Retraction of "Giant Thermal Switching via Phase Transition in MoTe2". [PDF]

J Phys Chem Lett
Chang Z, McIntosh N, Liu Z, Rurali R.
europepmc   +1 more source