Pressure-induced effects in the inorganic halide perovskite CsGeI₃

Diwen Liu, Qiaohong Li, Huijuan Jing, +1

RSC Advances

A first-principle study of the structural, mechanical, electronic and optical properties of vacancy-ordered double perovskite Cs2TeX6 (X = Cl, Br, I)

Rongjian Sa, Yingcong Wei, Wenying Zha, +1

Chemical Physics Letters

Materials ScienceLead-free PerovskitesTransition Metal ChalcogenidesEngineeringPerovskite Solar Cell +8

Theoretical Study of the Reverse Water Gas Shift Reaction on Copper Modified β-Mo₂C(001) Surfaces

Huijuan Jing, Qiaohong Li, Jian Wang, +2

The Journal of Physical Chemistry C

EngineeringChemistryCatalyst ActivationSingle-atom CatalystsTheoretical Study +14

Efficient electrochemical CO2 reduction on C2N monolayer supported transition metals trimer catalysts: A DFT study

Wenying Zha, Diwen Liu, Zuju Ma, +9

Applied Surface Science

Materials ScienceChemical EngineeringCatalytic ApplicationEngineeringC2n Monolayer +7

Predicted photovoltaic performance of lead-based hybrid perovskites under the influence of a mixed-cation approach: theoretical insights

Diwen Liu, Qiaohong Li, Jinyu Hu, +2

Journal of Materials Chemistry C

Much AttentionEngineeringOrganic Solar CellHalide PerovskitesMixed-cation Approach +19

Insight into the Improved Phase Stability of CsPbI₃ from First-Principles Calculations

Diwen Liu, Wenying Zha, Yongmei Guo, +1

ACS Omega

Photovoltaic Performance of Lead-Less Hybrid Perovskites from Theoretical Study

Diwen Liu, Qiaohong Li, Jinyu Hu, +2

The Journal of Physical Chemistry C

Optical MaterialsEngineeringHalide PerovskitesOptoelectronic DevicesChemistry +17

A first-principles study on the optoelectronic properties of mixed-halide double perovskites Cs₂TiI_6−xBr_x

Diwen Liu, Wenying Zha, Rusheng Yuan, +2

New Journal of Chemistry

Optical MaterialsEngineeringHalide PerovskitesOptoelectronic DevicesChemistry +23

Ethylammonium as an alternative cation for efficient perovskite solar cells from first-principles calculations

Diwen Liu, Qiaohong Li, Kechen Wu

RSC Advances

Stable lead-free Te-based double perovskites with tunable band gaps: a first-principles study

Diwen Liu, Qiaohong Li, Zhang Zhang, +1

New Journal of Chemistry

Materials ScienceOptical MaterialsEngineeringTunable Band GapsFirst-principles Study +11