2018年4月9日 · Here, we report an inorganic α-Ag 2 S semiconductor that exhibits extraordinary metal-like ductility with high plastic deformation strains at room temperature. Analysis of the chemical bonding...

Using first-principles calculation and Boltzmann electron/phonon transport theory, we present an accurate theoretical prediction of thermoelectric properties of the α-Ag2S crystal, a ductile inorga...

1991年1月1日 · When Ag 2 S is added to the GeS 2 glass former, a distortion increase of GeS 4 units is noted, characterizing the typical network modifier role played by the silver sulfide. This effect is amplified by the addition of AgI doping salt for quaternary glasses.

2003年2月1日 · Silver chalcogenide compound, Ag 2 S, known as a coinage mineral undergoes a structural phase transition. Above 453 K, Ag 2 S has a cubic structure called argentite (α-Ag 2 S). At room temperature, Ag 2 S changes to a monoclinic structure called acanthite, space group P 2 1 / c and Z =4 (β-Ag 2 S [1], [2]).

2023年10月1日 · Here, we comprehensively review the crystal structure, electronic structure, thermal transport mechanism, and mechanical properties of Ag 2 S. After that, we summarize the advanced strategies for improving the thermoelectric properties of Ag 2 S-based materials and their assembly for high-performance flexible thermoelectric devices.

2019年1月15日 · Here, using first-principles calculations, we identify a compelling two-dimensional auxetic material, single-layer Ag 2 S, which possesses large negative Poisson’s ratios in both in-plane and out-of-plane directions, but anisotropic ultralow Young’s modulus.

使用 GGA 电位计算内聚能，结果表明 Ag-S 是多数共价键，由电子密度准确证实，离子性因子为 0.055-0.11。 带结构和态密度 (DOS) 由 GGA 在有和没有 SOC 的情况下计算。 发现费米能量附近的 SOC 诱导的能带分裂将间隙能量从 0.87 增加到 0.97eV。 自旋磁矩被确定为 0.0003 μ β ，这证实了 Ag2S 不存在磁性行为。 贝克·约翰逊 应用与 GGA 耦合的改良 mBJ 以获得实验间隙附近的能隙。 最后，通过应用剪刀算子详细计算了光学特性，其中发现非吸收区域中 Ag2S 的重要最 …

使用单振荡器的概念分析 Ag2S 中折射率的色散。 在这个概念中，振荡器能量 E0 和色散能量 Ed 可以分别确定为 5 和 32.5 eV。 有趣的是，Ag2S 似乎属于离子类。

Ag2S nanoparticles (NPs) are attractive materials for wide application in catalysis, solar cells, and energy storage, owing to their low toxicity, tunable electronic properties, narrow bandgap, and light emission. However, in situ and operando studies are …

Using first-principles calculation and Boltzmann electron/phonon transport theory, we present an accurate theoretical prediction of thermoelectric properties of the α-Ag2S crystal, a ductile inorganic semiconductor reported experimentally [Nat. Mater. 2018,17, 421].