The ultimate transparent electronic devices require complementary and symmetrical pairs of n-type and p-type transparent semiconductors. While several n-type transparent oxide semiconductors like InGaZnO and ZnO are available and being used in consumer electronics, there are practically no p-type oxides that are comparable to the n-type counterpart in spite of tremendous efforts to discover them. Recently, high-throughput screening with the density functional theory calculations attempted to identify candidate p-type transparent oxides, but none of suggested materials was verified experimentally, implying need for a better theoretical predictor. Here, we propose a highly reliable and computationally efficient descriptor for p-type dopability—the hydrogen impurity energy. We show that the hydrogen descriptor can distinguish well-known p-type and n-type oxides. Using the hydrogen descriptor, we screen most binary oxides and a selected pool of ternary compounds that covers Sn²⁺-bearing and Cu¹⁺-bearing oxides as well as oxychalcogenides. As a result, we suggest La₂O₂Te and CuLiO as promising p-type oxides.

最终的透明电子设备需要互补且对称的n型和p型透明半导体对。尽管有几种n型透明氧化物半导体（如InGaZnO和ZnO）可供使用并用于消费类电子产品，但实际上，尽管人们为发现它们而付出了巨大的努力，但实际上并没有与n型透明氧化物相当的p型氧化物。最近，利用密度泛函理论计算进行的高通量筛选试图鉴定候选的p型透明氧化物，但没有对建议的材料进行实验验证，这意味着需要更好的理论预测剂。在这里，我们为p型掺杂性（氢杂质能量）提出了一个高度可靠且计算效率高的描述符。我们表明氢描述符可以区分众所周知的p型和n型氧化物。使用氢描述符，我们筛选了大多数二元氧化物和覆盖锡的三元化合物池^含2+和Cu ^1+的氧化物以及硫属硫化物。结果，我们建议La ₂ O ₂ Te和CuLiO为有前途的p型氧化物。