Results 91 to 100 of about 259,483 (342)

Density functional study of the actinide nitrides

, 2009
The full potential all electron linearized augmented plane wave plus local orbitals (FP-LAPW + lo) method, as implemented in the suite of software WIEN2K, has been used to systematically investigate the structural, electronic, and magnetic properties of ...
Asok K. Ray, D. A. Young, D. Gao, D. J. Martin, J. J. Katz, L. Petit, P. Blaha, P. De V. Du Plessis, R. Benz, Raymond Atta-Fynn, W. M. Temmerman   +10 more
core   +1 more source

From Single Atoms to Nanoparticles: Pathways Toward Efficient and Durable Pt/TiO2 Photocatalysts

Advanced Functional Materials, EarlyView.
Platinum single atoms on TiO2 nanosheets evolve into clusters and nanoparticles under ethanol photoreforming and thermal treatments. By controlling deposition and post‐treatments, particle size and location on specific facets are modulated. The study reveals how stability pathways determine efficiency, guiding the design of more durable photocatalysts.
Juan José Delgado, Enqi Bu, Yaning Han, Carlos López‐Cartes, Mónica Calatayud, Huiyan Pan, Xiaowei Chen   +6 more
wiley   +1 more source

Valence electron concentration as an indicator for mechanical properties in rocksalt structure nitrides, carbides and carbonitrides

Acta Materialia, 2018
First-principles calculations are employed to determine the mechanical properties of rock-salt structure binary and ternary transition metal nitrides, carbides, and carbonitrides from groups 4 to 12, predicting a unified indicator for mechanical ...
K. Balasubramanian, S. Khare, D. Gall
semanticscholar   +1 more source

Shaping Ti3C2 MXene Nanospheres for Precision Near‐Infrared Photothermal Therapy

Advanced Functional Materials, EarlyView.
In this study, we report producing spherical MXenes via fs laser fragmentation of Ti3C2 flakes in liquid medium. The nanoparticles demonstrated pronounced light absorption and high photothermal conversion efficiencies of 68% and 63% under heating with NIR‐I and NIR‐II lasers, respectively.
Julia S. Babkova, Ivan V. Zelepukin, Konstantin G. Shevchenko, Gleb V. Tikhonowski, Lyubov V. Gorelik, Anton A. Popov, Anna S. Sogomonyan, Alina Yu. Kapitannikova, Ivan S. Kazantsev, Dmitry V. Dyubo, Daria A. Panova, Daniil I. Tselikov, Anton A. Minnekhanov, Aziz B. Mirkasymov, Georgy A. Ermolaev, Alexander V. Syuy, Gleb I. Tselikov, Aleksey V. Arsenin, Andrei V. Kabashin, Kostya S. Novoselov, Sergey M. Deyev, Valentyn S. Volkov   +21 more
wiley   +1 more source

Recent advances in MXene-based materials for high-performance metal-air batteries

Green Chemistry Letters and Reviews
MXene is a novel type of 2D sheet nanomaterial that shows great application potentials in a variety of fields due to its advantages, such as high electrical conductivities, high surface areas, superior mechanical strength, functional transition metal ...
Ababay Ketema Worku, Molla Asmare Alemu, Delele Worku Ayele, Muluken Zegeye Getie, Minbale Admas Teshager   +4 more
doaj   +1 more source

Atomic‐Scale Light Coupling Control in Ultrathin Photonic Membranes

Advanced Functional Materials, EarlyView.
Ultrathin photonic nanomembranes provide atomic‐scale control over the coupling between incident light and high‐Q photonic modes, enabling angstrom‐level resonance tuning and strong field confinement. When integrated with TMD monolayers, they further yield enhanced light–matter interactions, offering a versatile platform for advancing quantum photonics,
Chih‐Zong Deng, Chun‐Hao Chiang, Sunhao Shi, Jui‐Han Fu, Yen‐Ju Wu, Kuniaki Konishi, Vincent Tung, Chun‐Wei Chen, Ya‐Lun Ho   +8 more
wiley   +1 more source

Interplay of Chemical Bonding and Magnetism in Fe_4N, Fe_3N, Fe_2N

, 1998
Using spin density functional theory we have carried out a comparative study of chemical bonding and magnetism in Fe_4N, Fe_3N and Fe_2N. All of these compounds form close packed Fe lattices, while N occupies octahedral interstitial positions.
Bader, Blaha, H Smolinski, Hahn, Jack, Jack, Jacobs, M Sifkovits, Matar, Matar, Matar, Moruzzi, Nakagawa, Perdew, Rechenbach, S Hellwig, Sakuma, Sakuma, Smolinski, W Weber   +19 more
core   +1 more source

Updates on the development of nanostructured transition metal nitrides for electrochemical energy storage and water splitting

, 2017
There are wide interests in developing high-performance electrode materials for electrochemical energy storage and conversion devices. Among them, transition metal nitrides (TMNs) are suitable for a wide range of devices because they have better ...
Muhammad-Sadeeq Balogun, Yongchao Huang, Weitao Qiu, Hao Yang, Hongbing Ji, Y. Tong   +5 more
semanticscholar   +1 more source

Group III Nitrides

, 2017
Optical, electrical, mechanical, and thermal properties of group III nitrides, inclusive of AlN, GaN, InN and their ternary and quaternary alloys, are discussed. The driving force for group III nitride semiconductors is their important applications in optoelectronics, microwave amplifiers, and high voltage power switches.
Ferreyra, Romualdo A, Zhu, Congyong, Teke, Ali, Morkoc, Hadis   +3 more
openaire   +3 more sources

Ferroelectricity in Antiferromagnetic Wurtzite Nitrides

Advanced Functional Materials, EarlyView.
We establish MnSiN2${\rm MnSiN}_2$ and MnGeN2${\rm MnGeN}_2$ as aristotypes of a new multiferroic wurtzite family that simultaneously exhibits ferroelectricity and antiferromagnetism with altermagnetic spin splitting. By strategically substituting alkaline‐earth metals, we predict new materials with coexisting switchable polarization, spin texture, and
Steven M. Baksa, Lin‐Ding Yuan, Stephen D. Wilson, James M. Rondinelli   +3 more
wiley   +1 more source