Results 161 to 170 of about 10,251 (258)

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

First principles rationale of strain-induced modifications in hybrid double halide perovskite: optoelectronics and photovoltaic perspectives. [PDF]

RSC Adv
Kalita T, Rajak M, Kalita DJ.
europepmc   +1 more source

Sputtering Mechanism of an Unsintered Organic–Inorganic Sputtering Target for Perovskite Solar Cells

Advanced Energy Materials, EarlyView.
An unsintered MAPbI3 sputtering target fabricated via a mechanochemical route enables large‐area vacuum deposition of perovskite absorber layers, while revealing an ion–photon coupled decomposition mechanism that governs target erosion and film composition under RF plasma exposure.
Doha Lim, Rira Kang, Yewon Lee, Hyun Hwi Lee, Mee‐Yi Ryu, Muntae Hwang, So‐Yeon Ju, Fang Luo, Byunghong Lee, Han‐Ki Kim   +9 more
wiley   +1 more source

Unravelling Mixed Organic-Halide Perovskite Degradation Under Extrinsic Factors. [PDF]

Small
Salado M, Tropin TV, Adel AE, Fruhner LS, Sánchez-Bodón J, Vilas-Vilela JL, Le Brun AP, Saerbeck T, Infante I, Petrenko V, Porro JM.   +10 more
europepmc   +1 more source

Accelerated Formation of CsPbI3 through Controlled Amidation of Intermediate Phases

Advanced Energy Materials, EarlyView.
This study presents a reaction‐guided crystallization strategy for phase‐pure CsPbI3 thin films. In this strategy, the additive 2,2,2‐trifluoroethyl trifluoroacetate (TFTF) undergoes a rapid ester‐amine amidation reaction with dimethylammonium iodide (DMAI), converting both species into highly volatile byproducts that are eliminated during annealing ...
Yitian Du, Vladimir V. Shilovskikh, Anatol Prudnikau, Ran Ji, Noel Israel, Zongbao Zhang, Shivam Singh, Alexander Thomas, Kashimul Hossain, Chunqiu Zheng, Fabian Paulus, Boris Rivkin, Yana Vaynzof   +12 more
wiley   +1 more source

Combining DFT Calculations and Clustering Techniques to Screen Organic Monovalent Cations for Applications in Halide Perovskite Solar Cells. [PDF]

ACS Omega
Bueno GC, Ribeiro IC, Ornelas-Cruz I, Prati RC, Lima MP, Da Silva JLF.   +5 more
europepmc   +1 more source

Chiral Molecular Configuration‐Mediated Crystallization of Perovskites for High‐Performance Solar Cells

Advanced Energy Materials, EarlyView.
In this work, we propose a chiral stereo‐anchoring strategy to modulate the colloidal evolution and crystallization behavior of FAPbI3 perovskites via stereochemical molecular design, which effectively regulates nucleation kinetics and promotes ordered crystal growth.
Runkang Wang, Yujie Zhu, Jiaxue You, Yunfan Wang, Jiarong Wu, Jinghao Ge, Pengda Tong, Shilong Jia, Xiaogang Wang, Yiran Tao, Hao‐Chung Kuo, Adel Najar, Lu Zhang, Yuanhao Gong, Shengzhong (Frank) Liu   +14 more
wiley   +1 more source

Recent advances in lead halide perovskite single crystals for optoelectronic devices. [PDF]

Chem Sci
Zi L, Fan X, Liu L, Guan S, Wei H, Chen J, Zhuang X, Xu W.   +7 more
europepmc   +1 more source

Efficient Flexible Monolithic Perovskite/CIGS Tandem Solar Cell by Using Two‐Step Hybrid Deposition Approach

Advanced Energy Materials, EarlyView.
Novel low‐temperature two‐step hybrid (co‐evaporation/solution) processing suppresses Zn‐induced perovskite degradation in monolithic perovskite/CIGS tandems. Lewis‐base additive engineering restores high crystallinity under the reduced‐temperature constraint.
Muhammad Rehan, Inyoung Jeong, Awet Mana Amare, Hung Van Tran, Inchan Hwang, Junseop Byeon, SeJin Ahn, Sungjun Hong, Ahreum Lee, Ara Cho, Jun‐Sik Cho, Seung Kyu Ahn, Soomin Song, Hyun‐wook Park, Jihye Gwak, Jae Ho Yun, Kihwan Kim, Donghyeop Shin   +17 more
wiley   +1 more source

High-entropy 1D halide perovskite piezoelectrics found by megalibrary synthesis and rapid nonlinear optical screening. [PDF]

Sci Adv
Li J, Beights J, Cai T, Li Y, Chevalier OJGL, Xie Y, Yang Y, Mirkin CA.   +7 more
europepmc   +1 more source