Results 141 to 150 of about 8,521,646 (245)

Seeing the Chemistry of Biomolecular Condensates: In Situ Mapping of Composition and Water Content

Advanced Science, EarlyView.
Raman hyperspectral imaging combined with spectral phasor analysis enables a label‐free quantification of proteins, polymers and water density within individual biomolecular condensates. By transforming complex vibrational fingerprints into intuitive compositional maps, the approach reveals the high water content and structural heterogeneity of ...
E. Sabri, A. Mangiarotti, C. N. Z. Schmitt, R. Dimova   +3 more
wiley   +1 more source

Strongly Anisotropic and Rapid Excitons Transport in Organic Crystal

Advanced Science, EarlyView.
The increased exciton diffusion length is beneficial to simplify device design and enhance photoelectric conversion efficiency. But the isotropic exciton diffusion may lead to reduced transport efficiency directed to the charge separation site. Here we have successfully achieved strongly anisotropic and rapid excitons transport in thienopyrrole ...
Minjie Li, Zheng‐Fei Liu, Jiajia Ma, Dayujia Huo, Ganglong Cui, Qing‐Zheng Yang, Yan Wan   +6 more
wiley   +1 more source

Improving High‐Temperature Operational Stability of Inverted Perovskite Solar Cells Through MXene Heat‐Dissipating Layers

Advanced Science, EarlyView.
MeO‐2PACz‐functionalized MXene nanosheets create a thermally conductive buried interface in inverted perovskite solar cells. The interface improves heat spreading, suppresses defects and ion migration, and strengthens charge extraction, extending T80 at 65°C from 141 to 687 h while maintaining competitive efficiency.
Masoud Karimipour, Nil Monrós Oliveras, Zhenchuan Tian, Timm Swoboda, Francesco Salutari, Marianna Sledzinska, Maria Chiara Spadaro, Kenedy Tabah Tanko, Javier Rodríguez‐Viejo, Jordi Arbiol, Tiankai Zhang, Feng Gao, Monica Lira‐Cantu   +12 more
wiley   +1 more source

Prediction and Experimental Verification of Electrolyte Solvation Structure from an OMol25-Trained Interatomic Potential. [PDF]

J Phys Chem Lett
Kumar N, Lai J, Mezerkor CS, Wang J, Wiaderek KM, Bazak JD, Blau SM, Crumlin EJ.   +7 more
europepmc   +1 more source

Interatomic potentials

, 1972
Interatomic ...
Torrens, Iam
core  

Visualizing a Li‐Depleted Amorphous Cathode–Electrolyte Interphase in Sulfide Solid‐State Batteries Using In Situ Cryogenic Electron Microscopy

Advanced Science, EarlyView.
In situ cryogenic STEM‐EELS and electron diffraction directly visualize Li depletion and structural degradation at the NCM523/Li6PS5Cl interface during charging. The results reveal a Li‐depleted amorphous interphase that impedes Li transport, while LiNbOy coating suppresses interfacial degradation and preserves the solid‐electrolyte structure ...
Yuki Nomura, Ryoma Sasaki, Huu Duc Luong, Misaki Hasegawa, Willy Shun Kai Bong, Koji Hiraoka, Kazuo Yamamoto, Yutaka Ito, Yoshiya Fujiwara, Yoshitaka Tateyama, Takuhiro Miyuki   +10 more
wiley   +1 more source

Exploring celecoxib polymorph landscape using AIMNet2 machine learning interatomic potential. [PDF]

Chem Sci
Zheng P, Abramov YA, Sun CC, Isayev O.
europepmc   +1 more source

A 3D‐Printed SFE‐Graded Alloy Mitigates Cryogenic Discontinuous Plastic Flow and Hydrogen Embrittlement

Advanced Science, EarlyView.
A novel strategy features gradient composition and stacking fault energy‐tuned (CoCrMn)100‐2xFexNix fabricated via in situ alloying additive manufacturing. This design circumvents cryogenic discontinuous plastic flow and hydrogen embrittlement of metallic materials under quasi‐static loading and hydrogen‐rich environment relevant to lunar polar ...
Renhao Wu, Ao Geng, Peihao Geng, Hyojin Park, Eun Seong Kim, Sang‐Ho Oh, Stephan Schönecker, Xiaoqing Li, Tianlong Zhang, Shuhui Li, Byeong‐Joo Lee, Hyoung Seop Kim   +11 more
wiley   +1 more source

Machine learning interatomic potential for the structural properties of iron oxides. [PDF]

Sci Rep
Torres A, de Oliveira AB, Barbosa MDS, Lelovsky LV, Resende VG, Dutra FC, Pimenta FV, Parreira FV, de Melo Souza A, Matos MJS, Rocha AR.   +10 more
europepmc   +1 more source

Unveiling Anisotropic in‐Plane Thermal Conductivity and Thermal Expansion Coefficient in Low‐Symmetry Few‐Layer ReS2

Advanced Science, EarlyView.
Simultaneous two‐mode Raman thermometry reveals strong in‐plane anisotropic thermal conductivity and thermal expansion coefficients in low‐symmetry few‐layer ReS2. By decoupling thermal transport along the crystallographic a‐ and b‐axes within a single optical configuration, this study provides robust experimental evidence and ab initio theoretical ...
Manab Mandal, Prahalad Kanti Barman, Susmita Jana, Saroj Poudyal, Kaushalya Kumari, Sourav Mondal, Abhishek Misra, Birabar Ranjit Kumar Nanda, Pramoda Kumar Nayak, Kanikrishnan Sethupathi   +9 more
wiley   +1 more source