Results 151 to 160 of about 205,731 (294)

A Comparative Study of Electronic, Optical, and Thermoelectric Properties of Zn-Doped Bulk and Monolayer SnSe Using Ab Initio Calculations. [PDF]

Nanomaterials (Basel), 2023
Al Bouzieh N, Sattar MA, Benkraouda M, Amrane N.   +3 more
europepmc   +1 more source

Enhancing Small Molecule Sensing With Aptameric Functionalized Nano Devices

Advanced Materials Technologies, EarlyView.
Unveiling an ultra‐sensitive, non‐invasive neurotransmitter sensor. For the first time, a nanoscale sensor for detecting an important neurotransmitter was demonstrated using micro‐electromechanical systems (MEMS) technology. Our approach utilized field‐effect transistor (FET)‐based readout to enable pico‐molar detection of biomarkers in sweat.
Thi Thanh Ha Nguyen, Cong Minh Nguyen, Quang Thang Trinh, Minh Anh Huynh, Khanh Vinh Ho, Dang Co Pham, Dzung Dao, Sven Ingebrandt, Sina Jamali, Xuan Thang Vu, Nam‐Trung Nguyen, Tuan‐Khoa Nguyen   +11 more
wiley   +1 more source

Exploring Hydrogen Incorporation into the Nb₄AlC₃ MAX Phases: Ab Initio Calculations. [PDF]

Materials (Basel), 2022
Fu Y, Li Z, Gao W, Zhao D, Huang Z, Sun B, Yan M, Liu G, Liu Z.   +8 more
europepmc   +1 more source

Exciton Radiative Lifetimes in Hexagonal Diamond Ge and SixGe1–x Alloys

Advanced Optical Materials, EarlyView.
Strong room‐temperature photoluminescence reported in hexagonal Ge conflicts with theory predicting a nearly dark band edge. First‐principles calculations of excitonic radiative lifetimes fill a key gap in this debate, showing that pristine hexagonal Ge remains intrinsically weakly emissive, while Si alloying only modestly shortens the lifetime and ...
Michele Re Fiorentin, Michele Amato, Maurizia Palummo   +2 more
wiley   +1 more source

The Atomic Structure and Mechanical Properties of ZIF-4 under High Pressure: Ab Initio Calculations. [PDF]

Molecules, 2022
Shi Z, Weng K, Li N.
europepmc   +1 more source

Electronic Structure Reorganization in MPS3 via d‐Shell‐Selective Alkali Metal Doping

Advanced Science, EarlyView.
Alkali metal doping of layered MPS3 antiferromagnets reveals d‐shell‐selective responses. While MnPS3 resists charge transfer due to its half‐filled 3d5 shell, FePS3 and NiPS3 behave similarly to CoPS3 by accommodating extra d‐electrons. Yet only CoPS3, with its least stable d‐shell, undergoes pronounced band restructuring and a semiconducting‐to ...
Jonah Elias Nitschke, Preeti Bhumla, Till Willershausen, Patrick Merisescu, David Maximilian Janas, Lasse Sternemann, Michael Gutnikov, Karl Schiller, Valentin Mischke, Michele Capra, Mira Sophie Arndt, Silvana Botti, Mirko Cinchetti   +12 more
wiley   +1 more source

Ab Initio Calculations of Oxosulfatovanadates. [PDF]

Acta Chemica Scandinavica, 1996
Torben Frøberg, Helge Johansen, Joan Nielsen, Carsten Christophersen, Ryszard Gawinecki, Günter Häfelinger, Muhammed Nour Homsi, Frank K. H. Kuske, Monika Haugg, Nathalie Trabesinger-Rüf, Elmar G. Weinhold   +10 more
openaire   +1 more source

Ga Doping Enables Precision Alloy‐to‐Wire Regulation: Synergistic Enhancement of the Mechanical Properties of CuSn Alloy and the Superconducting Properties of Nb3Sn

Advanced Science, EarlyView.
By adjusting Ga's doping in Cu–Sn alloy, an ultra‐high elongation of 100.8% is achieved in first time. Ga forms a stable solid solution structure and a stronger electron exchange with Cu. This enhances strength‐ductility synergistically by tuning SFE to balance twinning and slip.
Dazhuo Song, Juntao Zou, Jiayue Zhang, Xinhang Liang, Mengyu Shan, Yifan Liu, Jingqi Feng, Tong Dang, Lin Shi, Yuxuan Wang, Yuchen Song, Rong Fei, Shaodong Sun, Zhe Zhang, Lei Zhu, Lixing Sun   +15 more
wiley   +1 more source

Laser‐Induced Ultrafast Magnetic Phase Transition in 2D Van Der Waals Antiferromagnetic Heterostructures

Advanced Science, EarlyView.
In this work, ultrafast laser‐induced spin transfer and spin relaxation dynamics in 2D van der Waals antiferromagnetic CrI3/CrGeTe3 heterostructures are investigated. Laser excitation is demonstrated to induce pronounced interlayer nonequilibrium spin dynamics and ultrafast magnetic moment reconstruction, driving a transition from an antiferromagnetic (
Yang Wu, Fulu Zheng, San‐Dong Guo, Thomas Frauenheim, Zhaobo Zhou, Junjie He   +5 more
wiley   +1 more source

Potential Energy Surface and Bound States of Ne-Li₂⁺(X²Σ_g⁺) van der Waals Complex Based on Ab Initio Calculations. [PDF]

J Phys Chem A, 2023
Mabrouk N, Dhiflaoui J, Saidi S, Bejaoui M, Alharzali N, Berriche H.   +5 more
europepmc   +1 more source