Gang Tang
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0000-0003-4665-8599
Beijing Institute of Technology
33 papers found
Refreshing results…
Machine-learning-assisted discovery of 212-Zintl-phase compounds with ultra-low lattice thermal conductivity
First-principles insights into the ferroelectric, dielectric, and piezoelectric properties of polar Pca21 SbN
Enhancing piezoelectric response in (002)-Oriented TaxAl(1−x)N films by magnetron-sputtering composition-tunable AlTa alloys
Structural phase transitions and dielectric properties of BaTiO3 from a second-principles method
Similar electronic state effect enables excellent activity for nitrate-to-ammonia electroreduction on both high- and low-density double-atom catalysts
In-plane anisotropic mechanical properties of two-dimensional NbOI2
High-Throughput Screening of Deformable Inorganic Layered Semiconductors
First-principles study of the lattice thermal conductivity of the nitride perovskite LaWN3
Electronic and mechanical properties of ScXI (X=S,Se) monolayers and their heterostructures
Broken-gap type-III band alignment in monolayer halide perovskite/antiperovskite oxide van der Waals heterojunctions
High-Throughput Computational Screening of Two-Dimensional Semiconductors
Ground-state structures, electronic structure, transport properties and optical properties of Ca-based anti-Ruddlesden-Popper phase oxide perovskites
Structural Dimensionality Dependence of the Band Gap in An+1BnX3n+1 Ruddlesden–Popper Perovskites: A Global Picture
Response to Comment on “Improper molecular ferroelectrics with simultaneous ultrahigh pyroelectricity and figures of merit”
Unified picture for the pressure-controlled band gap in inorganic halide perovskites: Role of strain-phonon and phonon-phonon couplings
Unraveling the Factors Affecting the Mechanical Properties of Halide Perovskites from First-Principles Calculations
Theoretical Prediction of Mixed-Valence Layered Halide Perovskites Cs4M(IV)M(II)2X12 (M = Ge, Sn; X = Cl, Br)
An efficient screening strategy towards multifunctional catalysts for the simultaneous electroreduction of NO3−, NO2− and NO to NH3
Orbital−energy splitting in Ruddlesden−Popper layered halide perovskites for tunable optoelectronic properties
Structure–Composition–Property Relationships in Antiperovskite Nitrides: Guiding a Rational Alloy Design
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