Results 201 to 210 of about 20,207 (328)

Simulations of Polarimetric, X-Band Radar Signatures in Supercells. Part I: Description of Experiment and Simulated ρhv Rings

, 2017
J. Snyder, H. Bluestein, D. Dawson, Youngsun Jung   +3 more
semanticscholar   +1 more source

Breaking the Durability–Power Trade‐Off: Boron‐Directed Faceted O3 Cathodes for High‐Rate Sodium‐Ion Batteries

Advanced Energy Materials, EarlyView.
Boron‐oxide‐assisted particle engineering stabilizes O3‐type layered cathodes for sodium‐ion batteries by mitigating phase transitions and lattice strain. Acting as flux and structural modifier, boron forms submicron hexagonal platelets with (003) facets and expanded Na‐layer spacing, enabling rapid Na⁺ diffusion and mechanical resilience.
Tengfei Song, Alexis Manche, Dongrui Xie, Bowen Liu, Chenglong Wu, Bo Dong, Reda Malakauskaite, Manoj Ovhal, David O. Scanlon, Emma Kendrick   +9 more
wiley   +1 more source

Surface-structure search with variable composition and periodicity via machine learning and evolutionary algorithms: applications to Pt/Ge oxidation and Au-Sn alloying. [PDF]

Sci Technol Adv Mater
Kuroda F, Otani M.
europepmc   +1 more source

Engineering Na‐Rich P2‐Type Layered Oxides Through Li/Ti Dual Doping for Oxygen Redox Activation and Superior Structural Stability

Advanced Energy Materials, EarlyView.
P2‐type sodium layered oxides have potential for high‐voltage operation but suffer from structural instability and capacity fading. This work demonstrates that synergistic Li and Ti co‐doping enhances sodium inventory, suppresses detrimental phase transitions, and activates reversible lattice oxygen redox.
Rishika Jakhar, Shrestha Ghosh, Adesh Rohan Mishra, Shristi Pradhan, Debalina Sarkar, Yuanlong Bill Zheng, Zengqing Zhuo, Tianyi Li, Lu Ma, Minghao Zhang, Shyue Ping Ong, Matthew Li, Leeann Sun, Prabhat Thapliyal, Jing Wang, Abhik Banerjee, Ying Shirley Meng   +16 more
wiley   +1 more source

Surface Adsorption at the Thermodynamic Limit Using Periodic DLPNO-MP2 Theory: A Study of CO on MgO at Dilute and Dense Coverages. [PDF]

J Chem Theory Comput
Zhu A, Komonvasee P, Nejad A, Tew DP.
europepmc   +1 more source

Impact of Variations in Upper-Level Shear on Simulated Supercells

, 2016
R. Warren, H. Richter, H. Ramsay, S. Siems, M. Manton   +4 more
semanticscholar   +1 more source

MXene‐Derived Highly Oriented TiN Enables Ta3N5 Photoanodes for Transmission‐Mode Bias‐Free Solar Water Splitting

Advanced Energy Materials, EarlyView.
This work reports 2D MXene‐derived TiN thin films with (111)‐preferred orientation for transparent Ta3N5 photoanodes, demonstrating effective electron transfer behavior. All‐nitride electron‐collection architecture based on MXene‐derived TiN and n‐GaN resolves a long‐standing materials bottleneck between photocarrier transport and light transmission in
Jin Wook Yang, Hee Ryeong Kwon, Young Seon Yoon, Sung Yeon Lim, Tae Hyung Lee, Jiwoo Lee, Sung Hyuk Park, Sohyeon Park, Jungwon Park, Jin Young Kim, Ho Won Jang   +10 more
wiley   +1 more source

Coverage Effects on Hydrogen Evolution across Metals, Oxides, MXenes, and Dichalcogenides. [PDF]

ACS Omega
Mocelim M, Freire RLH, Moraes PIR, Branco Neto MMC, Da Silva JLF.   +4 more
europepmc   +1 more source

Mechanistic Origin of Capacity Limitation in Sidorenkite‐Type Na3‐xFe(PO4)(CO3) Carbonophosphate Cathodes for Na‐Ion Batteries

Advanced Energy Materials, EarlyView.
The potential–capacity profile reveals a one‐electron limitation in sidorenkite Na3−xFe(PO4)(CO3). Structural analysis shows that Fe4+ formation induces lattice strain and suppresses electronic conductivity, blocking further Na extraction. These findings establish key design rules: preserve crystallinity, avoid Jahn–Teller–active d4 configurations, and
Samuel Franz Gatti, Simon Krarup Steensen, Łukasz Kondracki, Haolan Fang, Moulay Sougrati, Ivano E. Castelli, Andrea Testino, Sigita Trabesinger   +7 more
wiley   +1 more source

Complementary Employment of Shell DFT-1/2 and HSE06 for Defect State Calculations in InP. [PDF]

Materials (Basel)
Liu Z, Shi J, Lai H, Xie S, Xu Q, Xue KH.   +5 more
europepmc   +1 more source