activity
20222024
most citedHigh-throughput screening of heterogeneous transition metal dual-atom catalysts by synergistic effect for nitrate reduction to ammonia

151 citations · 288 across the 7 of their papers we have counts for

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Showing cond-mat.mtrl-sciShow all

6 papers · 1 filter

cond-mat.mtrl-sci2024★ 7 cited

Ferroelasticity in Two-Dimensional Hybrid RuddlesdenPopper Perovskites Mediated by Cross-Plane Intermolecular Coupling and Metastable Funnel-Like Phases

Devesh R. Kripalani, Qiye Guan, Hejin Yan +2

Ferroelasticity describes a phenomenon in which a material exhibits two or more equally stable orientation variants and can be switched from one form to another under an applied st…

cond-mat.mtrl-sci2023★ 151 cited

High-throughput screening of heterogeneous transition metal dual-atom catalysts by synergistic effect for nitrate reduction to ammonia

Zheng Shu, Hongfei Chen, Xing Liu +3

Nitrate reduction to ammonia has attracted much attention for nitrate (NO3-) removal and ammonia (NH3) production. Identifying promising catalyst for active nitrate electroreductio…

cond-mat.mtrl-sci2023★ 59 cited

High-performance Thermoelectric Monolayer γ-GeSe and its Group-IV Monochalcogenide Isostructural Family

Zheng Shu, Bowen Wang, Xiangyue Cui +4

Recently synthesized novel phase of germanium selenide (γ-GeSe) adopts a hexagonal lattice and a surprisingly high conductivity than graphite. This triggers great interests in expl…

cond-mat.mtrl-sci2022★ 1 cited

Strongly Modulated Exfoliation and Functionalization of MXene with Rational Designed Groups in Polymer: A Theoretical Study

Qiye Guan, Hejin Yan, Yongqing Cai

As emerging atomically ultrathin metal compounds, MXenes show great promise for catalysts and nanoelectronics applications due to the abundant surface terminations and high metalli…

cond-mat.mtrl-sci2022★ 17 cited

Flatten the Li-ion Activation in Perfectly Lattice-matched MXene and 1T-MoS2 Heterostructures via Chemical Functionalization

Qiye Guan, Hejin Yan, Yongqing Cai

MXene and its derivatives have attracted considerable attention for potential application in energy storage like batteries and supercapacitors owing to its ultrathin metallic struc…

cond-mat.mtrl-sci2022★ 53 cited

Effects of Defect on Work Function and Energy Alignment of PbI2: Implications for Solar Cell Applications

Hongfei Chen, Hejin Yan, Yongqing Cai

Two-dimensional (2D) layered lead iodide (PbI2) is an important precursor and common residual species during the synthesis of lead-halide perovskites. There currently exist some de…