Results 181 to 190 of about 108,889 (317)

Ab-initio phonon calculation for Ba3(BO3)2 / Pnnm (58) / materials id 779608 [PDF]

Ab-initio phonon calculation for Ba3(BO3)2 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are presented.
Atsushi Togo
core  

Isosteric Substitution Enables Rational Design of Two‐Dimensional Energetic Crystals

Advanced Science, EarlyView.
Isosteric substitution transforms a classical nitro–amine motif into two‐dimensional aminofurazans with performance beyond TATB. ABSTRACT Two‐dimensional (2D) energetic crystals dissipate mechanical insult via interlayer slip, yet their molecular design space remains narrow.
Linyuan Wen, Wentong Tu, Tao Yu, Chao Chen, Zhixiang Zhang, Zhixiang Xie, Yingzhe Liu   +6 more
wiley   +1 more source

Recent advancement in prediction of thermoelectric performance in two-dimensional telluride monolayers. [PDF]

iScience
Singh AK, Kumar S, Galvão DS, Kundu TK, Tiwary CS.   +4 more
europepmc   +1 more source

Ab-initio phonon calculation for ErPS4 / I4_1/acd (142) / materials id 5036 [PDF]

Ab-initio phonon calculation for ErPS4 / I4_1/acd (142) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are presented.
Atsushi Togo
core  

Synergistic Spin‐Polarization and Single‐Atom Engineering in Magnetic Heterojunctions for Efficient Solar Water Splitting

Advanced Science, EarlyView.
High‐throughput screening led to the identification of 67 Z‐scheme heterojunctions (comprising 2D magnetic transition metal halides and non‐magnetic transition metal chalcogenides). For CrI3/MoTe2 and CrI3/WTe2, electronic structure analysis demonstrated that synergistic crystallographic point group and built‐in electric field effects generate a ...
Hongyang Ren, Zhenzhou Guo, Huirong Wu, Peilin Huang, Jie Yang, Jie Zhang, Guangqian Ding, Hongkuan Yuan, Biao Wang   +8 more
wiley   +1 more source

Ab-initio phonon calculation for BaHo2ZnO5 / Pnma (62) / materials id 6501 [PDF]

Ab-initio phonon calculation for BaHo2ZnO5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are presented.
Atsushi Togo
core  

Toward Prostate Cancer Early Warning with a Self‐Powered Wearable Biosensing Platform Integrated with Machine Learning

Advanced Science, EarlyView.
ABSTRACT Current prostate cancer detection methods remain limited in non‐invasiveness and specificity, prompting interest in urinary biomarkers such as sarcosine. Here, we report a urine‐powered wearable platform for non‐invasive sarcosine detection as a proof‐of‐concept for decentralized early warning.
Jing Xu, Hanxiao Chen, Qichen Yuan, Liucun Yin, Yifang Tao, Hong Wang, Yuquan Xue, Delai Fu, Huan Pang, Tie Chong, Li Xue   +10 more
wiley   +1 more source

Subterahertz Spin Relaxation Dynamics of Boron-Vacancy Centers in Hexagonal Boron Nitride. [PDF]

Nano Lett
Solanki AB, Wu YC, Ather H, Adhikary P, Shankar A, Gallagher I, Gao X, Matthiessen O, Sychev D, Lagutchev A, Li T, Chen YP, Shalaev VM, Lawrie B, Upadhyaya P.   +14 more
europepmc   +1 more source

Ab-initio phonon calculation for InTeCl / P2_1/c (14) / materials id 504630 [PDF]

Ab-initio phonon calculation for InTeCl / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are presented.
Atsushi Togo
core  

Type‐II Dirac Fermions in Monolayer In2O: Interplay of Magnetotransport, Spin Hall Effect, and Superconductivity

Advanced Science, EarlyView.
First‐principles calculations reveal that monolayer In2O${\rm In}_2{\rm O}$ hosts type‐II Dirac fermions near the Fermi level, which split into Weyl points under spin‐orbit coupling. The material exhibits negative and giant magnetoresistance, a pronounced spin Hall effect, and phonon‐mediated superconductivity at 1.5 K, establishing it as a unique ...
Qing‐Bo Liu, De‐Ming Feng, Wen‐Neng Zhao, Yu‐Yang Zhao, Lun Xiong, Xing‐Yi Tan, Hua‐Hua Fu   +6 more
wiley   +1 more source