Hepatocellular carcinoma (HCC) represents a paradigm of the relation between tumor microenvironment (TME) and tumor development. Here, we generate a single-cell atlas of the multicellular ecosystem of HCC from four tissue sites. We show the enrichment of central memory T cells (TCM) in the early tertiary lymphoid structures (E-TLSs) in HCC and assess the relationships between chronic HBV/HCV infection and T cell infiltration and exhaustion. We find the MMP9+ macrophages to be terminally differentiated tumor-associated macrophages (TAMs) and PPARγ to be the pivotal transcription factor driving their differentiation. We also characterize the heterogeneous subpopulations of malignant hepatocytes and their multifaceted functions in shaping the immune microenvironment of HCC. Finally, we identify seven microenvironment-based subtypes that can predict prognosis of HCC patients. Collectively, this large-scale atlas deepens our understanding of the HCC microenvironment, which might facilitate the development of new immune therapy strategies for this malignancy.

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All-inorganic metal halide perovskites are showing promising development towards efficient long-term stable materials and solar cells. Element doping, especially on the lead site, has been proved to be a useful strategy to obtain the desired film quality and material phase for high efficient and stable inorganic perovskite solar cells. Here we demonstrate a function by adding barium in CsPbI2Br. We find that barium is not incorporated into the perovskite lattice but induces phase segregation, resulting in a change in the iodide/bromide ratio compared with the precursor stoichiometry and consequently a reduction in the band gap energy of the perovskite phase. The device with 20 mol% barium shows a high power conversion efficiency of 14.0% and a great suppression of non-radiative recombination within the inorganic perovskite, yielding a high open-circuit voltage of 1.33 V and an external quantum efficiency of electroluminescence of 10−4.

A first-principles microkinetic model is developed to investigate the low-temperature ammonia-assisted selective catalytic reduction (NH3-SCR) of NO over Cu-chabazite (Cu-CHA). The reaction proceeds over NH3-solvated Cu sites by the formation of H2NNO and HONO, which decompose to N2 and H2O over Brønsted acid sites. Nonselective N2O formation is considered by H2NNO decomposition over the Cu sites. The adsorption of NH3 at oxidized Cu sites is found to inhibit the reaction at low temperatures by hindering NO adsorption. For the reactions, we find positive reaction orders with respect to NO and O2, whereas the reaction order with respect to NH3 is negative. The reaction orders and the obtained apparent activation energy are in good agreement with experimental data. A degree of rate control analysis shows that NH3-SCR over a pair of Cu­(NH3)2 + is mainly controlled by NO adsorption below 200 °C, whereas the formation of HONO and H2NNO becomes controlling at higher temperatures. The successful formulation of a first-principles microkinetic model for NH3-SCR rationalizes previous phenomenological models and links the kinetic behavior with materials properties, which results in unprecedented insights into the function of Cu-CHA catalysts for NH3-SCR.