Results 231 to 240 of about 397,717 (356)

s‐Orbital Mediated Metavalent Bonding Enables State‐Of‐The‐Art n‐Type AgBiSe2 Thermoelectrics

Advanced Functional Materials, EarlyView.
Metavalent bonding (MVB) underpins the exceptional property portfolio of chalcogenides. Typical MVB solids are mainly found in p‐bonded systems. This work reveals that MVB can also be formed with s‐p orbital interactions upon forming a single‐electron σ‐bond, as exemplified in AgBiSe2.
Binrong Huang, Dasol Kim, Yuan Yu, Jinxuan Zhong, Jianbo Zhu, Yaoling Shen, Yu Guo, Moran Wang, Jiawei Huang, Tu Lyu, Nan Lin, Yongsheng Zhang, Matthias Wuttig, Lipeng Hu   +13 more
wiley   +1 more source

Real-space observation of a time-reversal invariant topological state in twisted bilayer InSe. [PDF]

Nat Commun
Tian D, Tao S, Wang Y, Cheng P, Zhang Y, Wu K, Zhang Z, Yang SA, Feng B, Lu Y, Chen L.   +10 more
europepmc   +1 more source

A New Family of Ternary Intermetallic Compounds with Dualistic Atomic Ordering – The ZIP Phases

Advanced Materials, EarlyView.
The ZIP phases are ternary intermetallic compounds with dualistic atomic ordering, i.e., they exhibit one face‐centered cubic (fcc; space group Fd3¯$\bar 3$m) variant and one hexagonal (space group P63/mmc) variant. The ZIP phases in the Nb‐Si‐Ni system are the Nb3SiNi2 (fcc) and Ni3SiNb2 (hexagonal) ternary IMCs, crystal structure schematics of which ...
Matheus A. Tunes, Sean M. Drewry, Franziska Schmidt, James A. Valdez, Matthew M. Schneider, Caitlin A. Kohnert, Tarik A. Saleh, Saryu Fensin, Stuart A. Maloy, Cláudio G. Schön, Sylvain Dubois, Omri Tabo, Anna Eyal, Amit Keren, Asaf Pesach, Ganesh K. Nayak, Stavros‐Richard G. Christopoulos, Marco Molinari, Marcus Hans, Nick Goossens, Shuigen Huang, Jochen M. Schneider, Per O. Å. Persson, Jozef Vleugels, Konstantina Lambrinou   +24 more
wiley   +1 more source

The phase diagram of quantum chromodynamics in one dimension on a quantum computer. [PDF]

Nat Commun
Than AT, Atas YY, Chakraborty A, Zhang J, Diaz MT, Wen K, Liu X, Lewis R, Green AM, Muschik CA, Linke NM.   +10 more
europepmc   +1 more source

Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications

Advanced Materials, EarlyView.
This review highlights the significance of molecular simulations in expanding the understanding of metal–organic frameworks (MOFs) and improving their gas adsorption applications. The historical development and implementation of molecular simulations in the MOF field are given, high‐throughput computational screening studies used to unlock the ...
Hilal Daglar, Hasan Can Gulbalkan, Gokhan Onder Aksu, Seda Keskin   +3 more
wiley   +1 more source

On the potential of microtubules for scalable quantum computation. [PDF]

Eur Phys J Plus
Mavromatos NE, Mershin A, Nanopoulos DV.
europepmc   +1 more source

Global Existence of Bell's Time-Inhomogeneous Jump Process for Lattice Quantum Field Theory [PDF]

, 2003
Hans-Otto Georgii, Roderich Tumulka
openalex   +1 more source

Computational Modeling of Reticular Materials: The Past, the Present, and the Future

Advanced Materials, EarlyView.
Reticular materials are advanced materials with applications in emerging technologies. A thorough understanding of material properties at operating conditions is critical to accelerate the deployment at an industrial scale. Herein, the status of computational modeling of reticular materials is reviewed, supplemented with topical examples highlighting ...
Wim Temmerman, Ruben Goeminne, Kuber Singh Rawat, Veronique Van Speybroeck   +3 more
wiley   +1 more source

Challenges and strategies for first-principles simulations of two-dimensional magnetic phenomena.

Nanoscale
Garrido Aldea J, Esteras DL, Roche S, Garcia JH.   +3 more
europepmc   +1 more source

High sensitivity pressure and temperature quantum sensing in pentacene-doped p-terphenyl single crystals. [PDF]

Nat Commun
Singh H, D'Souza N, Garrett J, Singh A, Blankenship B, Druga E, Montis R, Tan LZ, Ajoy A.   +8 more
europepmc   +1 more source