DNA sequencing gives us an ideal opportunity to promote the well-being by helping personal or precision medicine. Here, we inspected the interaction of cytosine (C), thymine (T), adenine (A), and guanine (G) with an AlN nanosheet (AlNN) by using DFT method in order to find a DNA sequencer. The released energy after the adsorption of nucleobases on the AlNN displays the order of G (1.02 eV) > C (0.94) ≈ T (0.92) > A (0.63), which differs from the BN nanosheet order because of the different adsorption mechanisms. The energy decomposition analysis illustrated that through transition from the G to A base, the contribution of covalent bond in the adsorption nature decreased and the electrostatic/covalent ratio increased. The nucleobase interaction may significantly increase the electrical conductivity of the AlNN, so the electronic sensing response of AlNN toward G, T, C, or A is 1285, 638, 567, or 240. Also, we predicted short recovery times for desorption of nucleobases. Thus, the AlNN might be applied to selectively sense the difference among G, T, C, and A, which is conducive to determining the nucleobase sequence in DNA. The water solvent somewhat weakens the nucleobase adsorption process and slightly reduces the sensing responses.

DNA 测序为我们提供了一个理想的机会，可以通过帮助个人或精准医疗来促进健康。在这里，我们使用 DFT 方法检查了胞嘧啶 (C)、胸腺嘧啶 (T)、腺嘌呤 (A) 和鸟嘌呤 (G) 与 AlN 纳米片 (AlNN) 的相互作用，以找到 DNA 测序仪。在AlNN上吸附核碱基后释放的能量显示出G（1.02 eV）> C（0.94）≈T（0.92）> A（0.63）的顺序，这与BN纳米片顺序不同，因为吸附机制不同。能量分解分析表明，通过从 G 到 A 碱基的转变，共价键对吸附性质的贡献降低，静电/共价比增加。核碱基相互作用可能会显着增加 AlNN 的电导率，因此，AlNN 对 G、T、C 或 A 的电子传感响应为 1285、638、567 或 240。此外，我们预测核碱基解吸的恢复时间较短。因此，AlNN 可用于选择性地感知 G、T、C 和 A 之间的差异，这有利于确定 DNA 中的核碱基序列。水溶剂在一定程度上削弱了核碱基吸附过程并略微降低了传感响应。