Results 221 to 230 of about 2,093,667 (290)

Dendritic Fibrous Nanosilica Coated with a Graphitic Carbon Nitride Shell as a Selective Catalyst for N‑Dealkylation. [PDF]

Precis Chem
Lebedev MD, Goncharenko AA, Filippov DV, Yunin PA, Siaglova ED, Kalyagin AA, Pudikov DA, Skvortsov IA.   +7 more
europepmc   +1 more source

Crystal Structure Prediction of Inorganic Materials: A Benchmark and Modern Evaluation

Advanced Intelligent Discovery, EarlyView.
Predicting a crystal’s structure from composition alone is a long‐standing challenge in materials discovery. The CSP180 benchmark of 180 inorganic crystals evaluates thirteen crystal structure prediction algorithms requiring no density functional theory (DFT) against DFT‐based baselines across twelve metrics.
Lai Wei, Sadman Sadeed Omee, Rongzhi Dong, Nihang Fu, Yuqi Song, Edirisuriya M. Dilanga Siriwardane, Meiling Xu, Ming Hu, Chris Wolverton, Jianjun Hu   +9 more
wiley   +1 more source

A comprehensive review on graphene-/graphitic carbon nitride-based MOFs for the photocatalytic purification of dye wastewater. [PDF]

RSC Adv
Emmanuel SS, Achurefe GO, Amusat SO, Adesibikan AA, Elimian EA, Dube S, Muzi M, Idris MO.   +7 more
europepmc   +1 more source

Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers

Advanced Intelligent Systems, EarlyView.
Artificial intelligence is transforming the discovery of functional materials by linking synthesis, characterization, simulation, and design in unified workflows. Advances in machine learning, autonomous experimentation, and foundation models are accelerating innovation across energy, electronics, and biomedicine, while revealing new frontiers for ...
Cristiano Malica, Kostya S. Novoselov, Seongmin Kim, Yousung Jung, Silvana Botti, Miguel A. L. Marques, Tigany Zarrouk, Miguel A. Caro, Sanggyu Chong, Michele Ceriotti, Marivi Fernandez‐Serra, Sara Navarro‐Rodriguez, Aakash Ashok Naik, Janine George, Ömer Hasan Omar, Victor Trinquet, Gian‐Marco Rignanese, Andrey Ustyuzhanin, Sonia Conesa‐Boj, Juan Rojo, Minh‐Tuan Dau, Simon M.‐M. Dubois, Jean‐Christophe Charlier, Jose H. Garcia, Romain Gautier, Rachid Laref, Junfeng Qiao, Giovanni Pizzi, Nicola Marzari, Camilla Coletti, Antonio Rossi, Jan‐Lucas Uslu, Chiara Zanardi, Vincenzo Palermo, Wide Hogenhout, Natalia Konchakova, Peter Klein, Tejs Vegge, Stephan Roche   +38 more
wiley   +1 more source

Asymmetric atomic-level engineering of phosphorus-modified Cu single-atom coordination centers on carbon nitride for enhanced photocatalytic hydrogen evolution. [PDF]

Chem Sci
Islam H, Jaksani B, Mehmood S, Saha S, Sarma BB, Moses Abraham B, Pal U.   +6 more
europepmc   +1 more source

Accelerating Materials Discovery: A Review of Machine Learning in X‐Ray Absorption Spectroscopy

Advanced Intelligent Systems, EarlyView.
This review systematically details how machine learning transforms X‐ray absorption spectroscopy (XAS) analysis. It covers advanced deep learning architectures for structure‐spectra mapping and inverse tasks, while discussing key challenges like the simulation‐to‐reality gap.
Melaku Lake Tegegne, Haodong Yao, Liyuan Wu, Yihe Pang, Fazhi Qi, Lina Zhao   +5 more
wiley   +1 more source

Al- and Ga-doped graphitic carbon nitride as a temozolomide nanocarrier platform: a DFT study of adsorption and interfacial interactions. [PDF]

Nanoscale Adv
Yousuf M, Musa MS, Bhuiyan AM, Uzzaman M, Hossain MM, Dey K.   +5 more
europepmc   +1 more source

Graphdiyne as a Hole-Transport Channel in Carbon Nitride Heterojunctions for Synergistic CO₂ Reduction and γ-Butyrolactone Synthesis. [PDF]

Angew Chem Int Ed Engl
Zhang X, Chai J, Wang C, Lin W, Tang J, Savateev O, Yu JC, Cheng J.   +7 more
europepmc   +1 more source

Photosystem II-Carbon Nitride Photoanodes for Scalable Biophotoelectrochemistry. [PDF]

Adv Mater
Zhang H, Tian W, Lin J, Zhang P, Shao G, Ravi SK, Sun H, Cortés E, Andrei V, Wang S.   +9 more
europepmc   +1 more source

Metal-Free Ternary-Composite Aerogel Based on Graphitic Carbon Nitride, Graphene Oxide, and β-Cyclodextrin for Synergistic Adsorption and Photodegradation of Organic Dyes. [PDF]

Small
Yu Y, Zhou K, Shang L, Zou Y, Yin Q, Wang S, Chang N, Wen Y, Li J.   +8 more
europepmc   +1 more source