Structure prediction drives materials discovery

AR Oganov, CJ Pickard, Q Zhu, RJ Needs - Nature Reviews Materials, 2019 - nature.com
Progress in the discovery of new materials has been accelerated by the development of
reliable quantum-mechanical approaches to crystal structure prediction. The properties of a …

Crystalline carbon nitride semiconductors for photocatalytic water splitting

L Lin, Z Yu, X Wang - Angewandte Chemie, 2019 - Wiley Online Library
Conjugated carbon nitride (CN) is an emerging and promising semiconductor photocatalyst
for water photolysis owing to its unique properties. However, the traditional thermally …

Materials discovery at high pressures

L Zhang, Y Wang, J Lv, Y Ma - Nature Reviews Materials, 2017 - nature.com
Pressure is a fundamental thermodynamic variable that can be used to control the properties
of materials, because it reduces interatomic distances and profoundly modifies electronic …

Carbon nitrides: synthesis and characterization of a new class of functional materials

TS Miller, AB Jorge, TM Suter, A Sella, F Corà… - Physical Chemistry …, 2017 - pubs.rsc.org
Carbon nitride compounds with high N: C ratios and graphitic to polymeric structures are
being investigated as potential next-generation materials for incorporation in devices for …

Solid salt confinement effect: An effective strategy to fabricate high crystalline polymer carbon nitride for enhanced photocatalytic hydrogen evolution

Y Xu, X He, H Zhong, DJ Singh, L Zhang… - Applied Catalysis B …, 2019 - Elsevier
Polymer carbon nitrides (PCN) are one of promising photocatalysts in water splitting, but
their low crystallinity usually leads to slow transfer efficiency of charge carriers. Herein, we …

Synthesis of Ultra‐Incompressible and Recoverable Carbon Nitrides Featuring CN4 Tetrahedra

D Laniel, F Trybel, A Aslandukov… - Advanced …, 2024 - Wiley Online Library
Carbon nitrides featuring three‐dimensional frameworks of CN4 tetrahedra are one of the
great aspirations of materials science, expected to have a hardness greater than or …

High-sensitivity resistive humidity sensor based on graphitic carbon nitride nanosheets and its application

W Meng, S Wu, X Wang, D Zhang - Sensors and Actuators B: Chemical, 2020 - Elsevier
Currently, most humidity sensors have problems such as narrow measurement range, long
response time and poor reversibility. In this work, we developed a resistive humidity sensor …

Directional charge transport in layered two‐dimensional triazine‐based graphitic carbon nitride

Y Noda, C Merschjann, J Tarábek… - Angewandte Chemie …, 2019 - Wiley Online Library
Triazine‐based graphitic carbon nitride (TGCN) is the most recent addition to the family of
graphene‐type, two‐dimensional, and metal‐free materials. Although hailed as a promising …

K+-induced crystallization of polymeric carbon nitride to boost its photocatalytic activity for H2 evolution and hydrogenation of alkenes

Y Xu, C Qiu, X Fan, Y **ao, G Zhang, K Yu, H Ju… - Applied Catalysis B …, 2020 - Elsevier
Crystalline semiconductors with ordered long-range structure and minimized phase defect
are capable of efficient separation and diffusion of photoexcited charge carriers, which is …

Structural lithium incorporated with the crystalline poly (triazine imide) frameworks for selective catalytic oxidative desulfurization

S Lyu, J Wang, Y Zhou, C Wei, X Liang… - Advanced Functional …, 2024 - Wiley Online Library
Carbon nitride (CN) materials have been employed as catalysts in many scientific fields.
Moreover, highly crystalline CN as an ideal model material for key problems in catalytic …