Results 91 to 100 of about 54,855 (336)

Theoretical Investigations of the BaRh₂Ge₄X₆ (X = S, Se, Te) Compounds

Energies, 2020
The thermoelectric (TE) properties of the BaM2Ge4X6 compounds, where M = Rh and X = S, Se, Te, were investigated by computational approaches using density-functional theory and semi-classical Boltzmann theory for electronic transport.
Pascal Boulet, Marie-Christine Record
doaj   +1 more source

The Importance of Metal‐Organic Framework Linker Atoms for CO2 Reduction: A DFT Study

Advanced Science, EarlyView.
Using DFT, we examine the role of linker atoms in CO2 reduction on copper‐based metal organic frameworks (Cu MOFs). Our calculations reveal that linker atoms may serve as both CO2 and H‐shuttling sites and suggest linker electrostatics as a descriptor for linker activity. ABSTRACT Although the metal within the secondary building unit of a metal‐organic
Ugochukwu Nwosu, Samira Siahrostami
wiley   +1 more source

Composition Tuning of Nanostructured Binary Copper Selenides through Rapid Chemical Synthesis and Their Thermoelectric Property Evaluation

Nanomaterials, 2020
Reduced energy consumption and environmentally friendly, abundant constituents are gaining more attention for the synthesis of energy materials. A rapid, highly scalable, and process-temperature-sensitive solution synthesis route is demonstrated for the ...
Bejan Hamawandi, Sedat Ballikaya, Mikael Råsander, Joseph Halim, Lorenzo Vinciguerra, Johanna Rosén, Mats Johnsson, Muhammet S. Toprak   +7 more
doaj   +1 more source

Toward Next‐Generation High‐Speed Communication and Imaging: Solution‐Processed Sb2(S,Se)3/CdS Heterojunction for Ultrafast Self‐Powered Photodetector

Advanced Science, EarlyView.
A high‐quality solution‐processed Sb2(S,Se)3/CdS heterojunction is designed to overcome the intrinsic limitations of conventional photodetectors. The fabricated device achieves an excellent self‐powered performance, including a high responsivity of 0.6 A W−1, an ultrahigh specific detectivity of 7.68 × 1012 Jones, and a wide 3db bandwidth of 175 kHz ...
Xuhua Xiao, Yichao Wang, Jingxuan Bian, Hailong Wang, Yongqiang Wang, Jinpeng Xu, Junwei Chen   +6 more
wiley   +1 more source

Anomalous Suppression of Valley Splittings in Lead Salt Nanocrystals without Inversion Center

, 2011
Atomistic sp3d5s* tight-binding theory of PbSe and PbS nanocrystals is developed. It is demonstrated, that the valley splittings of confined electrons and holes strongly and peculiarly depend on the geometry of a nanocrystal. When the nanocrystal lacks a
A. N. Poddubny, B. Volkov, C. Delerue, F. Herman, G. Bir, H. Bilz, M. O. Nestoklon, S. V. Goupalov, W. Harrison   +8 more
core   +1 more source

New High‐Tc Charge‐Transfer Multiferroicity in the Quasi‐2D Antiferromagnet CrSbS3

Advanced Science, EarlyView.
ABSTRACT Low‐dimensional magnets, particularly 2D systems, offer a rich platform for realizing unconventional multiferroic mechanisms, especially when multiple polarization channels coexist. In the quasi‐2D antiferromagnet CrSbS3, which crystallizes in the centrosymmetric orthorhombic space group Pnma and orders magnetically at TN ≈ 90 K, two ...
Hung‐Cheng Wu, Yu‐Hsin Liao, Chih‐Chung Tsai, Pei‐Ying Yang, Yu‐Hao Chang, Yu‐Hui Liang, D. Chandrasekhar Kakarla, Ajay Tiwari, C. Dhanasekhar, Chin‐Wei Wang, Daisuke Okuyama, Chia‐Nung Kuo, Chin‐Shan Lue, Tzu‐Hsuan Weng, Kung‐Hsuan Lin, Jau‐Wern Chiou, Chi‐Hung Lee, Hung‐Duen Yang   +17 more
wiley   +1 more source

Onset of rigidty in glasses: from random to self-organized networks

, 2006
We review in this paper the signatures of a new elastic phase that is found in glasses with selected compositions. It is shown that in contrast with random networks, where rigidity percolates at a single threshold, networks that are able to self-organize
Asokan, Barré, Bohmer, Boolchand, Boolchand, Boolchand, Boolchand, Bychkov, Chakravarty, Chubynsky, Djordjevic, Doweidar, Duquesne, Feltz, Feng, Georgiev, Georgiev, Gump, He, J.C. Phillips, Jacobs, Kamitakahara, Keating, Kerner, Kirkwood, M. Micoulaut, Malki, Malki, Martin, Mauro, Maxwell, Micoulaut, Micoulaut, Micoulaut, Micoulaut, Monasson, Mousseau, Petkova, Phillips, Phillips, Qu, Qu, Rader, Renninger, Saffarini, Saiter, Salmon, Selvenathan, Selvenathan, Senapati, Sreeram, Tatsumisago, Thorpe, Thorpe, Thorpe, Trachenko, Trachenko, Vaills, Vaills, Vempati, Wang, Wang, Wang, Wang, Wang, Yun   +65 more
core   +1 more source

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

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

Structural origin of the midgap electronic states and the Urbach tail in pnictogen-chalcogenide glasses

, 2018
We determine the electronic density of states for computationally-generated bulk samples of amorphous chalcogenide alloys As$_{x}$Se$_{100-x}$. The samples were generated using a structure-building algorithm reported recently by us ({J. Chem.
Golden, Jon C., Lubchenko, Vassiliy, Lukyanov, Alexey   +2 more
core   +3 more sources