Results 201 to 210 of about 93,451 (264)

Self‐Trapped Hole Migration and Defect‐Mediated Thermal Quenching of Luminescence in α‐ and β‐Ga2O3

Advanced Functional Materials, EarlyView.
Temperature‐dependent photoluminescence and first‐principles calculations reveal self‐trapped hole migration as the microscopic origin of thermal quenching in α‐ and β‐Ga2O3. The low migration barrier in α‐Ga2O3 enables defect trapping and enhances blue luminescence, while the higher barrier in β‐Ga2O3 preserves ultraviolet emission at elevated ...
Nima Hajizadeh, Ymir K. Frodason, Clemens Petersen, Benjamin M. Janzen, Luca Sung‐Min Choi, Nils Bernhardt, Felix Nippert, Zbigniew Galazka, Joel B. Varley, Holger von Wenckstern, Lasse Vines, Markus R. Wagner   +11 more
wiley   +1 more source

Revisiting the Mechanistic Pathway of Gas-Phase Reactions in InN MOVPE Through DFT Calculations. [PDF]

Molecules
He X, Xu N, Xue Y, Zhang H, Zuo R, Xu Q.
europepmc   +1 more source

Unveiling Aggregation‐Induced Singlet Fission in Push–Pull Diketopyrrolopyrrole Water Dispersed Nanoaggregates and Thin Films

Advanced Functional Materials, EarlyView.
Aggregates of diketopyrrolopyrrole dipolar and quadrupolar systems exhibit panchromatic absorption spectra extending in the entire visible range. Upon aggregation in water and in the solid state, their fluorescence is almost completely quenched and their singlet excited state lifetime is significantly shortened.
Roberto Cantoni, Martina Alebardi, Eliana Maria D'Amato, Charu Popli, Yuvraj Patil, Pietro Mancini, Alessandro Di Michele, Anna Spalletti, Rajneesh Misra, Theodore Goodson, Benedetta Carlotti   +10 more
wiley   +1 more source

Supramolecular Structure of Sulfonamide-Substituted Silatranes: Quantum Chemical DFT Calculations. [PDF]

Int J Mol Sci
Chipanina NN, Adamovich SN, Nalibayeva AM, Abdikalykov YN, Oznobikhina LP, Oborina EN, Rozentsveig IB.   +6 more
europepmc   +1 more source

Electrochemical Formation of BiVO4/BiPO4 Photoanodes for Enhanced Selectivity toward H2O2 Generation

Advanced Functional Materials, EarlyView.
In acidic KPi, V dissolves from the BiVO4 lattice, while adsorbed phosphate reacts with the electrode under an external bias, forming a BiPO4 surface layer. This BiPO4 layer exhibits stronger bicarbonate adsorption, redirecting the water oxidation pathway toward two‐electron H2O2 production.
Kaijian Zhu, Xinyi Zhang, Lan Wen, Hongjiang Chen, Yudhistira Tirtayasri Amrillah, Vivi Fauzia, Hongzhen Dong, Shaoqiang Su, Wenjun Luo, Ferry Anggoro Ardy Nugroho, Patrick H.‐L. Sit, Yun Hau Ng, Fatwa F. Abdi   +12 more
wiley   +1 more source

Mechanisms of CO₂ Absorption in Amino Acid-Based Deep Eutectic Solvents: Insights from Molecular Dynamics and DFT Calculations. [PDF]

J Phys Chem B
Chi HY, Tsao HK, Sheng YJ.
europepmc   +1 more source

Multiple Twinning in Nacre and Aragonite

Advanced Functional Materials, EarlyView.
Electron backscatter diffraction map of a cluster of geologic aragonite, exhibiting single, double, and triple twins. The whole cluster is approximately 2 cm wide. Colors indicate crystal orientations, so that pixels where the a‐, b‐, and c‐axis is perpendicular to the image plane are green, red, and blue, respectively.
Connor A. Schmidt, William O. Nachlas, Bil Schneider, Xiaoming Mao, Eric Tambutté, Alexander A. Venn, Sylvie Tambutté, Pupa U. P. A. Gilbert   +7 more
wiley   +1 more source

Maya Blue‐Inspired Hybrid Coating for Robust and Superhydrophilic Solar Evaporators Using Commercial Black Acrylic Paint

Advanced Functional Materials, EarlyView.
This study demonstrates a Maya blue‐inspired hybrid solar evaporator using commercial black acrylic paint, achieving 98% solar‐thermal conversion efficiency and 2.39 kg m−2 h−1 water evaporation rate through a durable, hydrophilic organic–inorganic structure that enables scalable, cost‐effective desalination and wastewater purification.
Dao Thi Dung, Do Van Lam, Young Kim, Wonzee Jung, Kanghoon Yim, Seung‐Mo Lee   +5 more
wiley   +1 more source

Synthesis, molecular docking, pharmacological evaluation, MD simulation, and DFT calculations of quinazolin-12-one derivatives as PDK1 inhibitors. [PDF]

Nanoscale Adv
Sadeghian Z, Bayat M, Gheidari D.
europepmc   +1 more source

Dual‐Functional Additive Regulating Zn2+ Solvation Structure and (002) Plane‐Oriented Deposition for Dendrite‐Free Zn Anodes

Advanced Functional Materials, EarlyView.
Sulfosalicylic acid (SSA) is introduced as a bifunctional additive for Aqueous zinc‐ion batteries. SSA reconstructs the solvation structure of Zn2+ through the synergistic effects of its multiple functional groups, suppressing side reactions while selectively promoting Zn (002) deposition to prevent dendrite formation.
Le Gao, Ni Wang, Xingchen Xie, Liangkui Sun, Li Zhong, Wangbin Ding, Yushuang Tian, Sridhar Komarneni, Wencheng Hu   +8 more
wiley   +1 more source